3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole

C19H27N7 — CID 154768280

IUPAC3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole
SMILESCc1nnc(N2C[C@H](c3nc(C4CC4)n[nH]3)[C@@H](C3CC3)C2)n1CC1CC1
InChIInChI=1S/C19H27N7/c1-11-21-24-19(26(11)8-12-2-3-12)25-9-15(13-4-5-13)16(10-25)18-20-17(22-23-18)14-6-7-14/h12-16H,2-10H2,1H3,(H,20,22,23)/t15-,16+/m1/s1
InChIKeyGSVYVPUNMYXDQN-CVEARBPZSA-N
MW353.47 g/mol
LogP2.62
Rot. Bonds6

About 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole

3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole (PubChem CID 154768280) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole
PubChem CID154768280
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole
SMILESCc1nnc(N2C[C@H](c3nc(C4CC4)n[nH]3)[C@@H](C3CC3)C2)n1CC1CC1
InChIInChI=1S/C19H27N7/c1-11-21-24-19(26(11)8-12-2-3-12)25-9-15(13-4-5-13)16(10-25)18-20-17(22-23-18)14-6-7-14/h12-16H,2-10H2,1H3,(H,20,22,23)/t15-,16+/m1/s1
InChIKeyGSVYVPUNMYXDQN-CVEARBPZSA-N
XLogP2.62
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole with MolForge

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Related Compounds

5-[(3S,4S)-4-cyclopropylpyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
CID 137248460
3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
CID 126511419
rac-5-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
CID 132342116
5-[(3R,4R)-3-cyclopropyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1-methyltetrazole
CID 132350014
5-[(3R,4R)-4-cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-yl]-3-propan-2-yl-1H-1,2,4-triazole
CID 132350021
1-cyclopropyl-5-[[(3R,4R)-3-cyclopropyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 132350063
4-cyclopropyl-3-[[(3R,4R)-3-cyclopropyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 132350064
3-tert-butyl-5-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazole
CID 132365454
3-cyclopropyl-5-[(3R,4R)-3-cyclopropyl-4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazole
CID 132365455
5-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1-methyltetrazole
CID 132367306
3-cyclopropyl-5-[(3R,4R)-4-cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-yl]-1H-1,2,4-triazole
CID 132367311
5-[[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 132367466

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole?
The IUPAC name of 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole (CID 154768280) is 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole is Cc1nnc(N2C[C@H](c3nc(C4CC4)n[nH]3)[C@@H](C3CC3)C2)n1CC1CC1.
What is the InChIKey of 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole?
The InChIKey is GSVYVPUNMYXDQN-CVEARBPZSA-N. The full InChI is InChI=1S/C19H27N7/c1-11-21-24-19(26(11)8-12-2-3-12)25-9-15(13-4-5-13)16(10-25)18-20-17(22-23-18)14-6-7-14/h12-16H,2-10H2,1H3,(H,20,22,23)/t15-,16+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole?
3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole has a molecular weight of 353.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-cyclopropyl-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-4-(cyclopropylmethyl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 154768280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).