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

C15H20N6O — CID 97405204

IUPAC3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
SMILESc1cnc(N2CCCn3nnc(COCC4CC4)c3C2)cn1
InChIInChI=1S/C15H20N6O/c1-6-20(15-8-16-4-5-17-15)9-14-13(18-19-21(14)7-1)11-22-10-12-2-3-12/h4-5,8,12H,1-3,6-7,9-11H2
InChIKeyWQTDGEDHPNHCDF-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.40
Rot. Bonds5

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

3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine (PubChem CID 97405204) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
PubChem CID97405204
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
SMILESc1cnc(N2CCCn3nnc(COCC4CC4)c3C2)cn1
InChIInChI=1S/C15H20N6O/c1-6-20(15-8-16-4-5-17-15)9-14-13(18-19-21(14)7-1)11-22-10-12-2-3-12/h4-5,8,12H,1-3,6-7,9-11H2
InChIKeyWQTDGEDHPNHCDF-UHFFFAOYSA-N
XLogP1.40
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(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
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
3-(Ethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 134071747

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine (CID 97405204) is 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine is c1cnc(N2CCCn3nnc(COCC4CC4)c3C2)cn1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
The InChIKey is WQTDGEDHPNHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-6-20(15-8-16-4-5-17-15)9-14-13(18-19-21(14)7-1)11-22-10-12-2-3-12/h4-5,8,12H,1-3,6-7,9-11H2.
What are the key properties of 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine?
3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine has a molecular weight of 300.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97405204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).