4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H10ClN9 — CID 62865224

IUPAC4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cnc(CNc2nc(Cl)nc(-n3cncn3)n2)cn1
InChIInChI=1S/C11H10ClN9/c1-7-2-15-8(3-14-7)4-16-10-18-9(12)19-11(20-10)21-6-13-5-17-21/h2-3,5-6H,4H2,1H3,(H,16,18,19,20)
InChIKeyUKNSVAUFRLPBIP-UHFFFAOYSA-N
MW303.72 g/mol
LogP0.82
Rot. Bonds4

About 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62865224) has the molecular formula C11H10ClN9 and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62865224
Molecular FormulaC11H10ClN9
Molecular Weight303.72 g/mol
Exact Mass303.07
IUPAC Name4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cnc(CNc2nc(Cl)nc(-n3cncn3)n2)cn1
InChIInChI=1S/C11H10ClN9/c1-7-2-15-8(3-14-7)4-16-10-18-9(12)19-11(20-10)21-6-13-5-17-21/h2-3,5-6H,4H2,1H3,(H,16,18,19,20)
InChIKeyUKNSVAUFRLPBIP-UHFFFAOYSA-N
XLogP0.82
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62865224) is 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Cc1cnc(CNc2nc(Cl)nc(-n3cncn3)n2)cn1.
What is the InChIKey of 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UKNSVAUFRLPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN9/c1-7-2-15-8(3-14-7)4-16-10-18-9(12)19-11(20-10)21-6-13-5-17-21/h2-3,5-6H,4H2,1H3,(H,16,18,19,20).
What are the key properties of 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 303.72 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).