N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine

C10H18N4 — CID 60762129

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
SMILESCn1cnnc1CNC1CCCCC1
InChIInChI=1S/C10H18N4/c1-14-8-12-13-10(14)7-11-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyQMRPRTAGLGHLTM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.24
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine (PubChem CID 60762129) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
PubChem CID60762129
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
SMILESCn1cnnc1CNC1CCCCC1
InChIInChI=1S/C10H18N4/c1-14-8-12-13-10(14)7-11-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeyQMRPRTAGLGHLTM-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
Hexazole
CID 3083863
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(ethylthio)propan-2-amine
CID 56709396

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine (CID 60762129) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine is Cn1cnnc1CNC1CCCCC1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine?
The InChIKey is QMRPRTAGLGHLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-8-12-13-10(14)7-11-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine has a molecular weight of 194.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 60762129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).