1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine

C8H12N6 — CID 130935235

IUPAC1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
SMILESCn1ncc(CNc2nccn2C)n1
InChIInChI=1S/C8H12N6/c1-13-4-3-9-8(13)10-5-7-6-11-14(2)12-7/h3-4,6H,5H2,1-2H3,(H,9,10)
InChIKeyOLMRWJGAZMNUFL-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.16
Rot. Bonds3

About 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine

1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine (PubChem CID 130935235) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
PubChem CID130935235
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
SMILESCn1ncc(CNc2nccn2C)n1
InChIInChI=1S/C8H12N6/c1-13-4-3-9-8(13)10-5-7-6-11-14(2)12-7/h3-4,6H,5H2,1-2H3,(H,9,10)
InChIKeyOLMRWJGAZMNUFL-UHFFFAOYSA-N
XLogP0.16
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-amine
CID 62133823
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 62133116
N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
CID 62133080
1-methyl-N-(1,2-oxazol-5-ylmethyl)imidazol-2-amine
CID 106418901
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine
CID 130747973
N-methoxy-1-(2-methyltriazol-4-yl)methanamine
CID 130588226
[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
CID 63312168
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine (CID 130935235) is 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine is Cn1ncc(CNc2nccn2C)n1.
What is the InChIKey of 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine?
The InChIKey is OLMRWJGAZMNUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-13-4-3-9-8(13)10-5-7-6-11-14(2)12-7/h3-4,6H,5H2,1-2H3,(H,9,10).
What are the key properties of 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine?
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine has a molecular weight of 192.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 130935235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).