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

C9H15N5O — CID 71276489

IUPACN-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C9H15N5O/c10-6-1-3-7(4-2-6)13-9(15)8-11-5-12-14-8/h5-7H,1-4,10H2,(H,13,15)(H,11,12,14)
InChIKeyZKBWIVDGNCXGNJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.20
Rot. Bonds2

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

N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 71276489) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID71276489
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C9H15N5O/c10-6-1-3-7(4-2-6)13-9(15)8-11-5-12-14-8/h5-7H,1-4,10H2,(H,13,15)(H,11,12,14)
InChIKeyZKBWIVDGNCXGNJ-UHFFFAOYSA-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-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
US9346814, Cmpd No 37 Example 42
CID 89704955
1H-[1,2,4]Triazole-3-carboxylic acid (4-methylcyclohexyl)amide
CID 1250680
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
N-[(1S,2S)-2-fluorocyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 164634953
1H-[1,2,4]Triazole-3-carboxylic acid (2,2,6,6-tetramethylpiperidin-4-yl)amide
CID 707222
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057
N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-3-carboxamide
CID 2914181
3-amino-N-((1r,4r)-4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792684

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 71276489) is N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide is NC1CCC(NC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZKBWIVDGNCXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-1-3-7(4-2-6)13-9(15)8-11-5-12-14-8/h5-7H,1-4,10H2,(H,13,15)(H,11,12,14).
What are the key properties of N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-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-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 71276489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).