N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

C14H23N5O — CID 106599359

IUPACN-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)N(CC2CCCN2)C2CC2)n[nH]1
InChIInChI=1S/C14H23N5O/c1-2-4-12-16-13(18-17-12)14(20)19(11-6-7-11)9-10-5-3-8-15-10/h10-11,15H,2-9H2,1H3,(H,16,17,18)
InChIKeyPSHKXCVXJQVPKP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds6

About N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106599359) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID106599359
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)N(CC2CCCN2)C2CC2)n[nH]1
InChIInChI=1S/C14H23N5O/c1-2-4-12-16-13(18-17-12)14(20)19(11-6-7-11)9-10-5-3-8-15-10/h10-11,15H,2-9H2,1H3,(H,16,17,18)
InChIKeyPSHKXCVXJQVPKP-UHFFFAOYSA-N
XLogP1.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106609199
5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106610714
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2H-tetrazole-5-carboxamide
CID 106626973
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106599443
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 104974145
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 82750167
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
methyl 2-[(2-methoxy-2-oxoethyl)-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetate
CID 107858360
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 106599359) is N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)N(CC2CCCN2)C2CC2)n[nH]1.
What is the InChIKey of N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is PSHKXCVXJQVPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-4-12-16-13(18-17-12)14(20)19(11-6-7-11)9-10-5-3-8-15-10/h10-11,15H,2-9H2,1H3,(H,16,17,18).
What are the key properties of N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106599359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).