4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine

C13H18N6O — CID 75510045

IUPAC4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCC(c3ncn[nH]3)CC2)ncn1
InChIInChI=1S/C13H18N6O/c1-2-20-12-7-11(14-8-15-12)19-5-3-10(4-6-19)13-16-9-17-18-13/h7-10H,2-6H2,1H3,(H,16,17,18)
InChIKeyAPMIECWSVJNWKV-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.38
Rot. Bonds4

About 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine

4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 75510045) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID75510045
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCC(c3ncn[nH]3)CC2)ncn1
InChIInChI=1S/C13H18N6O/c1-2-20-12-7-11(14-8-15-12)19-5-3-10(4-6-19)13-16-9-17-18-13/h7-10H,2-6H2,1H3,(H,16,17,18)
InChIKeyAPMIECWSVJNWKV-UHFFFAOYSA-N
XLogP1.38
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine 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

4-tert-butyl-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 138033495
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
CID 133485880
N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133464534
[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 139010879
(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 99620090
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133490367
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
1-(2-chloroethyl)-4-(6-ethoxypyrimidin-4-yl)-1,4-diazepane
CID 66331346

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine (CID 75510045) is 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine is CCOc1cc(N2CCC(c3ncn[nH]3)CC2)ncn1.
What is the InChIKey of 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is APMIECWSVJNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-20-12-7-11(14-8-15-12)19-5-3-10(4-6-19)13-16-9-17-18-13/h7-10H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 274.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 75510045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).