2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H13N9 — CID 80804633

IUPAC2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cnc(CNc2nc(N)nc(-n3cccn3)n2)cn1
InChIInChI=1S/C12H13N9/c1-8-5-15-9(6-14-8)7-16-11-18-10(13)19-12(20-11)21-4-2-3-17-21/h2-6H,7H2,1H3,(H3,13,16,18,19,20)
InChIKeyZJAMZYJNUOKEQN-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.35
Rot. Bonds4

About 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80804633) has the molecular formula C12H13N9 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80804633
Molecular FormulaC12H13N9
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cnc(CNc2nc(N)nc(-n3cccn3)n2)cn1
InChIInChI=1S/C12H13N9/c1-8-5-15-9(6-14-8)7-16-11-18-10(13)19-12(20-11)21-4-2-3-17-21/h2-6H,7H2,1H3,(H3,13,16,18,19,20)
InChIKeyZJAMZYJNUOKEQN-UHFFFAOYSA-N
XLogP0.35
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-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

2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80807311
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
4-[[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384080
2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80816586
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106029137

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80804633) is 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Cc1cnc(CNc2nc(N)nc(-n3cccn3)n2)cn1.
What is the InChIKey of 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZJAMZYJNUOKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9/c1-8-5-15-9(6-14-8)7-16-11-18-10(13)19-12(20-11)21-4-2-3-17-21/h2-6H,7H2,1H3,(H3,13,16,18,19,20).
What are the key properties of 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylpyrazin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).