4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H14N6 — CID 114213335

IUPAC4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCn1nncc1-c1ncnc2c1CNCC2
InChIInChI=1S/C11H14N6/c1-2-17-10(6-15-16-17)11-8-5-12-4-3-9(8)13-7-14-11/h6-7,12H,2-5H2,1H3
InChIKeyFHPNNTDHDVBPON-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.40
Rot. Bonds2

About 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114213335) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114213335
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCn1nncc1-c1ncnc2c1CNCC2
InChIInChI=1S/C11H14N6/c1-2-17-10(6-15-16-17)11-8-5-12-4-3-9(8)13-7-14-11/h6-7,12H,2-5H2,1H3
InChIKeyFHPNNTDHDVBPON-UHFFFAOYSA-N
XLogP0.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-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-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114213335) is 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCn1nncc1-c1ncnc2c1CNCC2.
What is the InChIKey of 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is FHPNNTDHDVBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-17-10(6-15-16-17)11-8-5-12-4-3-9(8)13-7-14-11/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 230.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyltriazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114213335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).