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

C10H17N5O — CID 79121887

IUPACN-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1ncn[nH]1)C1CCC(N)CC1
InChIInChI=1S/C10H17N5O/c1-15(8-4-2-7(11)3-5-8)10(16)9-12-6-13-14-9/h6-8H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyBCBYUIONBLFACH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.15
Rot. Bonds2

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

N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79121887) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID79121887
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1ncn[nH]1)C1CCC(N)CC1
InChIInChI=1S/C10H17N5O/c1-15(8-4-2-7(11)3-5-8)10(16)9-12-6-13-14-9/h6-8H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyBCBYUIONBLFACH-UHFFFAOYSA-N
XLogP0.15
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
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
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
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
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)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide (CID 79121887) is N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide is CN(C(=O)c1ncn[nH]1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BCBYUIONBLFACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(8-4-2-7(11)3-5-8)10(16)9-12-6-13-14-9/h6-8H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide?
N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79121887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).