1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine

C7H10N6 — CID 114688680

IUPAC1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ncc[nH]1
InChIInChI=1S/C7H10N6/c1-13-5(4-11-12-13)6(8)7-9-2-3-10-7/h2-4,6H,8H2,1H3,(H,9,10)
InChIKeyIOGLWJXFOXMIFN-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.41
Rot. Bonds2

About 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine

1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine (PubChem CID 114688680) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
PubChem CID114688680
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ncc[nH]1
InChIInChI=1S/C7H10N6/c1-13-5(4-11-12-13)6(8)7-9-2-3-10-7/h2-4,6H,8H2,1H3,(H,9,10)
InChIKeyIOGLWJXFOXMIFN-UHFFFAOYSA-N
XLogP-0.41
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 114688732
1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine
CID 116835166
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 114688955
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine (CID 114688680) is 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine?
The InChIKey is IOGLWJXFOXMIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13-5(4-11-12-13)6(8)7-9-2-3-10-7/h2-4,6H,8H2,1H3,(H,9,10).
What are the key properties of 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine?
1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine has a molecular weight of 178.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).