4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

C12H14N6O — CID 142744344

IUPAC4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOCCn1nnc(-c2ncnc3[nH]ccc23)c1C
InChIInChI=1S/C12H14N6O/c1-8-10(16-17-18(8)5-6-19-2)11-9-3-4-13-12(9)15-7-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyDRABEFCLZSPGRC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.17
Rot. Bonds4

About 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 142744344) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID142744344
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOCCn1nnc(-c2ncnc3[nH]ccc23)c1C
InChIInChI=1S/C12H14N6O/c1-8-10(16-17-18(8)5-6-19-2)11-9-3-4-13-12(9)15-7-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyDRABEFCLZSPGRC-UHFFFAOYSA-N
XLogP1.17
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 142744344) is 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is COCCn1nnc(-c2ncnc3[nH]ccc23)c1C.
What is the InChIKey of 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DRABEFCLZSPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-8-10(16-17-18(8)5-6-19-2)11-9-3-4-13-12(9)15-7-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 258.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142744344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).