4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole

C11H18N4 — CID 102783728

IUPAC4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
SMILESCc1nnc(C2NCCC2C)n1C1CC1
InChIInChI=1S/C11H18N4/c1-7-5-6-12-10(7)11-14-13-8(2)15(11)9-3-4-9/h7,9-10,12H,3-6H2,1-2H3
InChIKeySVUQBXKJMKARHF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.59
Rot. Bonds2

About 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole

4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole (PubChem CID 102783728) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
PubChem CID102783728
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
SMILESCc1nnc(C2NCCC2C)n1C1CC1
InChIInChI=1S/C11H18N4/c1-7-5-6-12-10(7)11-14-13-8(2)15(11)9-3-4-9/h7,9-10,12H,3-6H2,1-2H3
InChIKeySVUQBXKJMKARHF-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142797
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
4-ethyl-3-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65979590
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
(2-{4-[4-cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1,1-dimethylethyl)amine dihydrochloride
CID 70782280
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
1-(cyclopropylmethyl)-3-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]urea
CID 72020819
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259
3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole
CID 52191572

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole (CID 102783728) is 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole is Cc1nnc(C2NCCC2C)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole?
The InChIKey is SVUQBXKJMKARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-7-5-6-12-10(7)11-14-13-8(2)15(11)9-3-4-9/h7,9-10,12H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole?
4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole has a molecular weight of 206.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole is sourced from PubChem (CID 102783728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).