N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide

C10H17N5O — CID 103805775

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnn1
InChIInChI=1S/C10H17N5O/c11-8-3-1-2-4-9(8)13-10(16)7-15-6-5-12-14-15/h5-6,8-9H,1-4,7,11H2,(H,13,16)/t8-,9-/m1/s1
InChIKeyYWDVWFHSCUNJTH-RKDXNWHRSA-N
MW223.28 g/mol
LogP-0.34
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide (PubChem CID 103805775) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
PubChem CID103805775
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnn1
InChIInChI=1S/C10H17N5O/c11-8-3-1-2-4-9(8)13-10(16)7-15-6-5-12-14-15/h5-6,8-9H,1-4,7,11H2,(H,13,16)/t8-,9-/m1/s1
InChIKeyYWDVWFHSCUNJTH-RKDXNWHRSA-N
XLogP-0.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-(azepan-4-yl)-2-(triazol-1-yl)acetamide
CID 105059311
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
2-(triazol-1-yl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 75397270
2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 97157859
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
CID 106995465
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
CID 113276448

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide (CID 103805775) is N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide is N[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnn1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide?
The InChIKey is YWDVWFHSCUNJTH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N5O/c11-8-3-1-2-4-9(8)13-10(16)7-15-6-5-12-14-15/h5-6,8-9H,1-4,7,11H2,(H,13,16)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 103805775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).