3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine

C13H18N6O — CID 134071747

IUPAC3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
SMILESCCOCc1nnn2c1CN(c1cnccn1)CCC2
InChIInChI=1S/C13H18N6O/c1-2-20-10-11-12-9-18(13-8-14-4-5-15-13)6-3-7-19(12)17-16-11/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyLTLWQLYNPNWKQG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.01
Rot. Bonds4

About 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine

3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine (PubChem CID 134071747) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
PubChem CID134071747
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
SMILESCCOCc1nnn2c1CN(c1cnccn1)CCC2
InChIInChI=1S/C13H18N6O/c1-2-20-10-11-12-9-18(13-8-14-4-5-15-13)6-3-7-19(12)17-16-11/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyLTLWQLYNPNWKQG-UHFFFAOYSA-N
XLogP1.01
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine 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

3-(Cyclopropylmethoxymethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97519075
N,N-dimethyl-2-[[5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methoxy]ethanamine
CID 97405178
3-(Cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97405204
3-(Methoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97410127
N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine
CID 97410131
5-Pyrimidin-2-yl-3-(2-pyrrolidin-1-ylethoxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97413552
2-[(5-Pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 97413559
5-[(1-methylimidazol-2-yl)methyl]-3-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
CID 97516919

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
The IUPAC name of 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine (CID 134071747) is 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine is CCOCc1nnn2c1CN(c1cnccn1)CCC2.
What is the InChIKey of 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
The InChIKey is LTLWQLYNPNWKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-20-10-11-12-9-18(13-8-14-4-5-15-13)6-3-7-19(12)17-16-11/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine has a molecular weight of 274.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 134071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).