4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine

C9H9N5 — CID 114879019

IUPAC4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESCc1ccncc1-c1ncnc(N)n1
InChIInChI=1S/C9H9N5/c1-6-2-3-11-4-7(6)8-12-5-13-9(10)14-8/h2-5H,1H3,(H2,10,12,13,14)
InChIKeyHPKYCXOYPRNXBJ-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.82
Rot. Bonds1

About 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine

4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 114879019) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID114879019
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESCc1ccncc1-c1ncnc(N)n1
InChIInChI=1S/C9H9N5/c1-6-2-3-11-4-7(6)8-12-5-13-9(10)14-8/h2-5H,1H3,(H2,10,12,13,14)
InChIKeyHPKYCXOYPRNXBJ-UHFFFAOYSA-N
XLogP0.82
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine (CID 114879019) is 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine is Cc1ccncc1-c1ncnc(N)n1.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is HPKYCXOYPRNXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-6-2-3-11-4-7(6)8-12-5-13-9(10)14-8/h2-5H,1H3,(H2,10,12,13,14).
What are the key properties of 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 187.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114879019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).