cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide

C12H21N5O — CID 56917679

IUPACcis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1nc(C)n(CCNC(=O)[C@H]2CC[C@@H](N)C2)n1
InChIInChI=1S/C12H21N5O/c1-8-15-9(2)17(16-8)6-5-14-12(18)10-3-4-11(13)7-10/h10-11H,3-7,13H2,1-2H3,(H,14,18)/t10-,11+/m0/s1
InChIKeyRCHOKZKZQGNITK-WDEREUQCSA-N
MW251.33 g/mol
LogP0.14
Rot. Bonds4

About cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 56917679) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID56917679
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Namecis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1nc(C)n(CCNC(=O)[C@H]2CC[C@@H](N)C2)n1
InChIInChI=1S/C12H21N5O/c1-8-15-9(2)17(16-8)6-5-14-12(18)10-3-4-11(13)7-10/h10-11H,3-7,13H2,1-2H3,(H,14,18)/t10-,11+/m0/s1
InChIKeyRCHOKZKZQGNITK-WDEREUQCSA-N
XLogP0.14
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976
1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97207686
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 133120673
(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97130759
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500233
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 66010021

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide (CID 56917679) is cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide is Cc1nc(C)n(CCNC(=O)[C@H]2CC[C@@H](N)C2)n1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is RCHOKZKZQGNITK-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-15-9(2)17(16-8)6-5-14-12(18)10-3-4-11(13)7-10/h10-11H,3-7,13H2,1-2H3,(H,14,18)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56917679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).