N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide

C14H23N5O — CID 125439680

IUPACN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cn[nH]n1
InChIInChI=1S/C14H23N5O/c20-14(13-9-16-18-17-13)15-8-11-6-7-19(10-11)12-4-2-1-3-5-12/h9,11-12H,1-8,10H2,(H,15,20)(H,16,17,18)/t11-/m1/s1
InChIKeyYSSMJBPPOSDOQH-LLVKDONJSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds4

About N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide (PubChem CID 125439680) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
PubChem CID125439680
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cn[nH]n1
InChIInChI=1S/C14H23N5O/c20-14(13-9-16-18-17-13)15-8-11-6-7-19(10-11)12-4-2-1-3-5-12/h9,11-12H,1-8,10H2,(H,15,20)(H,16,17,18)/t11-/m1/s1
InChIKeyYSSMJBPPOSDOQH-LLVKDONJSA-N
XLogP1.19
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 125157238
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 77087273
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide (CID 125439680) is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide is O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cn[nH]n1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is YSSMJBPPOSDOQH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O/c20-14(13-9-16-18-17-13)15-8-11-6-7-19(10-11)12-4-2-1-3-5-12/h9,11-12H,1-8,10H2,(H,15,20)(H,16,17,18)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 125439680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).