N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide

C9H15N5O — CID 102724932

IUPACN-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1
InChIInChI=1S/C9H15N5O/c10-6-3-1-2-4-7(6)13-9(15)8-11-5-12-14-8/h5-7H,1-4,10H2,(H,13,15)(H,11,12,14)/t6-,7-/m1/s1
InChIKeyYHWWBDQBIBHTJT-RNFRBKRXSA-N
MW209.25 g/mol
LogP-0.20
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 102724932) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID102724932
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1
InChIInChI=1S/C9H15N5O/c10-6-3-1-2-4-7(6)13-9(15)8-11-5-12-14-8/h5-7H,1-4,10H2,(H,13,15)(H,11,12,14)/t6-,7-/m1/s1
InChIKeyYHWWBDQBIBHTJT-RNFRBKRXSA-N
XLogP-0.20
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040267
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55245594
2-[(3S,4R)-4-(1H-1,2,4-triazole-5-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91795458

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide (CID 102724932) is N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide is N[C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YHWWBDQBIBHTJT-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-3-1-2-4-7(6)13-9(15)8-11-5-12-14-8/h5-7H,1-4,10H2,(H,13,15)(H,11,12,14)/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 102724932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).