cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

C10H18N4 — CID 95363086

IUPACcis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCc1nnc([C@H]2CCC[C@@H](N)C2)n1C
InChIInChI=1S/C10H18N4/c1-7-12-13-10(14(7)2)8-4-3-5-9(11)6-8/h8-9H,3-6,11H2,1-2H3/t8-,9+/m0/s1
InChIKeyZUVMTBJSCPNWCY-DTWKUNHWSA-N
MW194.28 g/mol
LogP1.11
Rot. Bonds1

About cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 95363086) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID95363086
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Namecis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCc1nnc([C@H]2CCC[C@@H](N)C2)n1C
InChIInChI=1S/C10H18N4/c1-7-12-13-10(14(7)2)8-4-3-5-9(11)6-8/h8-9H,3-6,11H2,1-2H3/t8-,9+/m0/s1
InChIKeyZUVMTBJSCPNWCY-DTWKUNHWSA-N
XLogP1.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 95363086) is cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is Cc1nnc([C@H]2CCC[C@@H](N)C2)n1C.
What is the InChIKey of cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is ZUVMTBJSCPNWCY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-12-13-10(14(7)2)8-4-3-5-9(11)6-8/h8-9H,3-6,11H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 95363086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).