6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione

C12H16ClN5O2 — CID 106302336

IUPAC6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCn1cnnc1Cn1c(=O)[nH]c(Cl)c(C(C)C)c1=O
InChIInChI=1S/C12H16ClN5O2/c1-4-17-6-14-16-8(17)5-18-11(19)9(7(2)3)10(13)15-12(18)20/h6-7H,4-5H2,1-3H3,(H,15,20)
InChIKeyHXJMNEZBIXEGLS-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.97
Rot. Bonds4

About 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione

6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 106302336) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID106302336
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCn1cnnc1Cn1c(=O)[nH]c(Cl)c(C(C)C)c1=O
InChIInChI=1S/C12H16ClN5O2/c1-4-17-6-14-16-8(17)5-18-11(19)9(7(2)3)10(13)15-12(18)20/h6-7H,4-5H2,1-3H3,(H,15,20)
InChIKeyHXJMNEZBIXEGLS-UHFFFAOYSA-N
XLogP0.97
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione 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

6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
CID 114169287
6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione
CID 113404299
2-[1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 106303694
6-chloro-5-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404713
6-chloro-3-(3-methylsulfonylpropyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 113404537
1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62692789
2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione
CID 136730496
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 106304410
2-chloro-1-[1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 106303213
3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106301770
3-ethyl-6-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106301775
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 106302336) is 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione is CCn1cnnc1Cn1c(=O)[nH]c(Cl)c(C(C)C)c1=O.
What is the InChIKey of 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is HXJMNEZBIXEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-4-17-6-14-16-8(17)5-18-11(19)9(7(2)3)10(13)15-12(18)20/h6-7H,4-5H2,1-3H3,(H,15,20).
What are the key properties of 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 297.75 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 106302336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).