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

C13H22N6 — CID 106577192

IUPAC4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCc1cn(CCc2ncn(C)n2)c(NCC(C)C)n1
InChIInChI=1S/C13H22N6/c1-10(2)7-14-13-16-11(3)8-19(13)6-5-12-15-9-18(4)17-12/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyRSGQOQWNUWXCQA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.63
Rot. Bonds6

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

4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (PubChem CID 106577192) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
PubChem CID106577192
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCc1cn(CCc2ncn(C)n2)c(NCC(C)C)n1
InChIInChI=1S/C13H22N6/c1-10(2)7-14-13-16-11(3)8-19(13)6-5-12-15-9-18(4)17-12/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyRSGQOQWNUWXCQA-UHFFFAOYSA-N
XLogP1.63
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (CID 106577192) is 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is Cc1cn(CCc2ncn(C)n2)c(NCC(C)C)n1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The InChIKey is RSGQOQWNUWXCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10(2)7-14-13-16-11(3)8-19(13)6-5-12-15-9-18(4)17-12/h8-10H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106577192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).