(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine

C7H10N6 — CID 65362548

IUPAC(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCn1ccnc1C(N)c1ncn[nH]1
InChIInChI=1S/C7H10N6/c1-13-3-2-9-7(13)5(8)6-10-4-11-12-6/h2-5H,8H2,1H3,(H,10,11,12)
InChIKeyMQQGSRRKPHAMQR-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.41
Rot. Bonds2

About (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine

(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65362548) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65362548
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCn1ccnc1C(N)c1ncn[nH]1
InChIInChI=1S/C7H10N6/c1-13-3-2-9-7(13)5(8)6-10-4-11-12-6/h2-5H,8H2,1H3,(H,10,11,12)
InChIKeyMQQGSRRKPHAMQR-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

(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363337
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
N-[1-(1-methylimidazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548472
(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65363418
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 114530308
(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102950782
1-methyl-2-pentan-3-ylimidazole
CID 89261277
(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65362548) is (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine is Cn1ccnc1C(N)c1ncn[nH]1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is MQQGSRRKPHAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13-3-2-9-7(13)5(8)6-10-4-11-12-6/h2-5H,8H2,1H3,(H,10,11,12).
What are the key properties of (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-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 (1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65362548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).