4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C10H17ClN4 — CID 107054010

IUPAC4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CNC2CCC(Cl)CC2)nn1
InChIInChI=1S/C10H17ClN4/c1-15-7-10(13-14-15)6-12-9-4-2-8(11)3-5-9/h7-9,12H,2-6H2,1H3
InChIKeyNTZRBCAUPRQBRB-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.45
Rot. Bonds3

About 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 107054010) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID107054010
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CNC2CCC(Cl)CC2)nn1
InChIInChI=1S/C10H17ClN4/c1-15-7-10(13-14-15)6-12-9-4-2-8(11)3-5-9/h7-9,12H,2-6H2,1H3
InChIKeyNTZRBCAUPRQBRB-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 62757757
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107041620
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054011
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
N-[(1-cyclopentyltriazol-4-yl)methyl]cyclopropanamine
CID 66193785
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 107054010) is 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is Cn1cc(CNC2CCC(Cl)CC2)nn1.
What is the InChIKey of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is NTZRBCAUPRQBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-15-7-10(13-14-15)6-12-9-4-2-8(11)3-5-9/h7-9,12H,2-6H2,1H3.
What are the key properties of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 228.73 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107054010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).