7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine

C14H15N5O — CID 25112783

IUPAC7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine
SMILESCCCn1nnc2c(OC)nc(-c3ccccc3)nc21
InChIInChI=1S/C14H15N5O/c1-3-9-19-13-11(17-18-19)14(20-2)16-12(15-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyLKYOYNSSFFTOCJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.31
Rot. Bonds4

About 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine

7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine (PubChem CID 25112783) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine
PubChem CID25112783
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine
SMILESCCCn1nnc2c(OC)nc(-c3ccccc3)nc21
InChIInChI=1S/C14H15N5O/c1-3-9-19-13-11(17-18-19)14(20-2)16-12(15-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyLKYOYNSSFFTOCJ-UHFFFAOYSA-N
XLogP2.31
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-chloro-5-phenyltriazolo[4,5-d]pyrimidin-3-yl)propan-2-ol
CID 11254778
3-benzyl-7-benzylsulfanyl-5-phenyltriazolo[4,5-d]pyrimidine
CID 11154090
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
(2R,3S)-3-(7-chloro-5-phenyltriazolo[4,5-d]pyrimidin-3-yl)pentan-2-ol
CID 11472597
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
3-benzyl-7-ethoxytriazolo[4,5-d]pyrimidine
CID 4677502
5-methoxy-2-phenyl-4-propoxypyrimidine
CID 67908224
1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 102087796
2-(5-phenyl-1-propyltriazol-4-yl)acetic acid
CID 82205190
5-(3-methoxyphenyl)-1-propyltriazole-4-carboxylic acid
CID 82204829
3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine
CID 44554660
N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)-2-fluorobenzamide
CID 44590917

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine (CID 25112783) is 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine is CCCn1nnc2c(OC)nc(-c3ccccc3)nc21.
What is the InChIKey of 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine?
The InChIKey is LKYOYNSSFFTOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-9-19-13-11(17-18-19)14(20-2)16-12(15-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine?
7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine has a molecular weight of 269.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-phenyl-3-propyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 25112783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).