4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine

C9H6N6 — CID 66810391

IUPAC4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine
SMILESc1cnc2c(-c3ncn[nH]3)ncnc2c1
InChIInChI=1S/C9H6N6/c1-2-6-7(10-3-1)8(12-4-11-6)9-13-5-14-15-9/h1-5H,(H,13,14,15)
InChIKeyCQKRORZGHRYQJI-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.81
Rot. Bonds1

About 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine

4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine (PubChem CID 66810391) has the molecular formula C9H6N6 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine
PubChem CID66810391
Molecular FormulaC9H6N6
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine
SMILESc1cnc2c(-c3ncn[nH]3)ncnc2c1
InChIInChI=1S/C9H6N6/c1-2-6-7(10-3-1)8(12-4-11-6)9-13-5-14-15-9/h1-5H,(H,13,14,15)
InChIKeyCQKRORZGHRYQJI-UHFFFAOYSA-N
XLogP0.81
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine (CID 66810391) is 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine is c1cnc2c(-c3ncn[nH]3)ncnc2c1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine?
The InChIKey is CQKRORZGHRYQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6/c1-2-6-7(10-3-1)8(12-4-11-6)9-13-5-14-15-9/h1-5H,(H,13,14,15).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine?
4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine has a molecular weight of 198.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 66810391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).