N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine

C14H22N6 — CID 106577191

IUPACN-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCn1cnc(CCn2ccnc2NC2CCCCC2)n1
InChIInChI=1S/C14H22N6/c1-19-11-16-13(18-19)7-9-20-10-8-15-14(20)17-12-5-3-2-4-6-12/h8,10-12H,2-7,9H2,1H3,(H,15,17)
InChIKeyVJZFWFGTQNBWCZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.00
Rot. Bonds5

About N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine

N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (PubChem CID 106577191) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
PubChem CID106577191
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCn1cnc(CCn2ccnc2NC2CCCCC2)n1
InChIInChI=1S/C14H22N6/c1-19-11-16-13(18-19)7-9-20-10-8-15-14(20)17-12-5-3-2-4-6-12/h8,10-12H,2-7,9H2,1H3,(H,15,17)
InChIKeyVJZFWFGTQNBWCZ-UHFFFAOYSA-N
XLogP2.00
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (CID 106577191) is N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is Cn1cnc(CCn2ccnc2NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The InChIKey is VJZFWFGTQNBWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-19-11-16-13(18-19)7-9-20-10-8-15-14(20)17-12-5-3-2-4-6-12/h8,10-12H,2-7,9H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106577191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).