(1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine

C13H24N4 — CID 174244734

IUPAC(1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC[C@@H](NCC1CCCCC1)c1n[nH]c(C)n1
InChIInChI=1S/C13H24N4/c1-3-12(13-15-10(2)16-17-13)14-9-11-7-5-4-6-8-11/h11-12,14H,3-9H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyDCGZKMZFKMJFRX-GFCCVEGCSA-N
MW236.36 g/mol
LogP2.73
Rot. Bonds5

About (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine

(1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 174244734) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID174244734
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC[C@@H](NCC1CCCCC1)c1n[nH]c(C)n1
InChIInChI=1S/C13H24N4/c1-3-12(13-15-10(2)16-17-13)14-9-11-7-5-4-6-8-11/h11-12,14H,3-9H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyDCGZKMZFKMJFRX-GFCCVEGCSA-N
XLogP2.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine with MolForge

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Related Compounds

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
CID 47003211
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192491
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 47002730
3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 71758195
3-(4-aminocyclohexyl)-1H-1,2,4-triazol-5-amine
CID 61319568
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61336802
1-[5-(butan-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CID 86775457
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 91662957
rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
4-(3-ethyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride
CID 155858502
Sdccgsbi-0659129.P001
CID 53192268

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine (CID 174244734) is (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine is CC[C@@H](NCC1CCCCC1)c1n[nH]c(C)n1.
What is the InChIKey of (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is DCGZKMZFKMJFRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-12(13-15-10(2)16-17-13)14-9-11-7-5-4-6-8-11/h11-12,14H,3-9H2,1-2H3,(H,15,16,17)/t12-/m1/s1.
What are the key properties of (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
(1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(cyclohexylmethyl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 174244734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).