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

C8H12N6 — CID 62133277

IUPAC1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
SMILESCn1cnnc1CNc1nccn1C
InChIInChI=1S/C8H12N6/c1-13-4-3-9-8(13)10-5-7-12-11-6-14(7)2/h3-4,6H,5H2,1-2H3,(H,9,10)
InChIKeyQVZIGZGOWLFXIV-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.16
Rot. Bonds3

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

1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine (PubChem CID 62133277) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
PubChem CID62133277
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
SMILESCn1cnnc1CNc1nccn1C
InChIInChI=1S/C8H12N6/c1-13-4-3-9-8(13)10-5-7-12-11-6-14(7)2/h3-4,6H,5H2,1-2H3,(H,9,10)
InChIKeyQVZIGZGOWLFXIV-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-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232
N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 106569980
N-ethyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106572865
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 114598698
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 62924484
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
CID 62117304
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117756
5-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]isoquinolin-1-amine
CID 106537763
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78955166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine (CID 62133277) is 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine is Cn1cnnc1CNc1nccn1C.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The InChIKey is QVZIGZGOWLFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-13-4-3-9-8(13)10-5-7-12-11-6-14(7)2/h3-4,6H,5H2,1-2H3,(H,9,10).
What are the key properties of 1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
1-methyl-N-[(4-methyl-1,2,4-triazol-3-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-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 62133277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).