3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C8H11N7 — CID 66274509

IUPAC3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1cnc(CNc2n[nH]c(N)n2)cn1
InChIInChI=1S/C8H11N7/c1-5-2-11-6(3-10-5)4-12-8-13-7(9)14-15-8/h2-3H,4H2,1H3,(H4,9,12,13,14,15)
InChIKeyHGBARCHPJOLKQU-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.10
Rot. Bonds3

About 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66274509) has the molecular formula C8H11N7 and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID66274509
Molecular FormulaC8H11N7
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1cnc(CNc2n[nH]c(N)n2)cn1
InChIInChI=1S/C8H11N7/c1-5-2-11-6(3-10-5)4-12-8-13-7(9)14-15-8/h2-3H,4H2,1H3,(H4,9,12,13,14,15)
InChIKeyHGBARCHPJOLKQU-UHFFFAOYSA-N
XLogP0.10
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
CID 62846987
3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275798
3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
CID 13045202
2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine
CID 80652610
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
CID 79827777
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80825317
2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80804633
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
(5-methylpyrazin-2-yl)methylcyanamide
CID 62846273
5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80825138
5-chloro-4-N-[(5-methylpyrazin-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80824616

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 66274509) is 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cc1cnc(CNc2n[nH]c(N)n2)cn1.
What is the InChIKey of 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is HGBARCHPJOLKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-5-2-11-6(3-10-5)4-12-8-13-7(9)14-15-8/h2-3H,4H2,1H3,(H4,9,12,13,14,15).
What are the key properties of 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 205.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66274509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).