6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C12H12N8 — CID 80776963

IUPAC6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccn2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H12N8/c13-10-17-11(16-7-9-3-1-2-4-15-9)19-12(18-10)20-6-5-14-8-20/h1-6,8H,7H2,(H3,13,16,17,18,19)
InChIKeySVBCTPYADPZBKA-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.65
Rot. Bonds4

About 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80776963) has the molecular formula C12H12N8 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80776963
Molecular FormulaC12H12N8
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccn2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H12N8/c13-10-17-11(16-7-9-3-1-2-4-15-9)19-12(18-10)20-6-5-14-8-20/h1-6,8H,7H2,(H3,13,16,17,18,19)
InChIKeySVBCTPYADPZBKA-UHFFFAOYSA-N
XLogP0.65
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-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

6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80776963) is 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccccn2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SVBCTPYADPZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8/c13-10-17-11(16-7-9-3-1-2-4-15-9)19-12(18-10)20-6-5-14-8-20/h1-6,8H,7H2,(H3,13,16,17,18,19).
What are the key properties of 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 268.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80776963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).