(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate

C14H14N6O2 — CID 70826413

IUPAC(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
SMILESCC(C)n1nnc2c(OC(=O)Nc3ccccc3)ncnc21
InChIInChI=1S/C14H14N6O2/c1-9(2)20-12-11(18-19-20)13(16-8-15-12)22-14(21)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,21)
InChIKeyKZJXVIVOWBGSDS-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.41
Rot. Bonds3

About (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate

(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate (PubChem CID 70826413) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
PubChem CID70826413
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
SMILESCC(C)n1nnc2c(OC(=O)Nc3ccccc3)ncnc21
InChIInChI=1S/C14H14N6O2/c1-9(2)20-12-11(18-19-20)13(16-8-15-12)22-14(21)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,21)
InChIKeyKZJXVIVOWBGSDS-UHFFFAOYSA-N
XLogP2.41
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate
CID 169186337
pyridin-2-yl N-phenylcarbamate
CID 4689975
[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate
CID 143605606
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
dimethyl 1-(1-anilino-1-oxopropan-2-yl)triazole-4,5-dicarboxylate
CID 50927850
[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate
CID 1489964
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-phenylacetamide
CID 7118976
CID 68594224
CID 68594224
(5-chloro-2-methyltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
CID 143605583
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate?
The IUPAC name of (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate (CID 70826413) is (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate.
What is the SMILES notation for (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate?
The canonical SMILES for (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate is CC(C)n1nnc2c(OC(=O)Nc3ccccc3)ncnc21.
What is the InChIKey of (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate?
The InChIKey is KZJXVIVOWBGSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-9(2)20-12-11(18-19-20)13(16-8-15-12)22-14(21)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,21).
What are the key properties of (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate?
(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate has a molecular weight of 298.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate is sourced from PubChem (CID 70826413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).