1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C10H18N4 — CID 60977957

IUPAC1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1n[nH]c(CNCC2CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-4-9(5-3-1)6-11-7-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyVAFKNXDZVXUOOB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.47
Rot. Bonds4

About 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60977957) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60977957
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1n[nH]c(CNCC2CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-4-9(5-3-1)6-11-7-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyVAFKNXDZVXUOOB-UHFFFAOYSA-N
XLogP1.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61336802
4-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 71299989
rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
(1r,4r)-4-(1h-1,2,4-Triazol-3-yl)cyclohexan-1-amine
CID 61361214
5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole
CID 157021514
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753676
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753875
N-(1H-1,2,4-triazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754266
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757193
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757801

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60977957) is 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1n[nH]c(CNCC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is VAFKNXDZVXUOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-4-9(5-3-1)6-11-7-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14).
What are the key properties of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60977957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).