5-methyl-3-phenyltriazolo[4,5-d]pyrimidine

C11H9N5 — CID 14006330

IUPAC5-methyl-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCc1ncc2nnn(-c3ccccc3)c2n1
InChIInChI=1S/C11H9N5/c1-8-12-7-10-11(13-8)16(15-14-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyKVVLESHPSUJMBN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.52
Rot. Bonds1

About 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine

5-methyl-3-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 14006330) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-3-phenyltriazolo[4,5-d]pyrimidine
PubChem CID14006330
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-methyl-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCc1ncc2nnn(-c3ccccc3)c2n1
InChIInChI=1S/C11H9N5/c1-8-12-7-10-11(13-8)16(15-14-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyKVVLESHPSUJMBN-UHFFFAOYSA-N
XLogP1.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-phenyltriazolo[4,5-d]pyrimidine
CID 14006342
3-phenyltriazolo[4,5-d]pyrimidine-5-carbonitrile
CID 23258943
3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine
CID 143261620
3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine
CID 144695383
3-(4-bromophenyl)-5-chlorotriazolo[4,5-d]pyrimidine
CID 90389706
5-chloro-3-(4-methylsulfinylphenyl)triazolo[4,5-d]pyrimidine
CID 90397966
2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol
CID 11588006
5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 23258932
3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
CID 144695368
6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
CID 132525992
5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
CID 57380816
(E)-3-[3-[[3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenyl]prop-2-enoic acid
CID 70338306

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine (CID 14006330) is 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine is Cc1ncc2nnn(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is KVVLESHPSUJMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-8-12-7-10-11(13-8)16(15-14-10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
5-methyl-3-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 211.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 14006330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).