N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine

C15H23N7O — CID 97410131

IUPACN,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine
SMILESCN(C)CCOCc1nnn2c1CN(c1cnccn1)CCC2
InChIInChI=1S/C15H23N7O/c1-20(2)8-9-23-12-13-14-11-21(15-10-16-4-5-17-15)6-3-7-22(14)19-18-13/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyOGYQECRCTCCPBQ-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.56
Rot. Bonds6

About N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine

N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine (PubChem CID 97410131) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine
PubChem CID97410131
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine
SMILESCN(C)CCOCc1nnn2c1CN(c1cnccn1)CCC2
InChIInChI=1S/C15H23N7O/c1-20(2)8-9-23-12-13-14-11-21(15-10-16-4-5-17-15)6-3-7-22(14)19-18-13/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyOGYQECRCTCCPBQ-UHFFFAOYSA-N
XLogP0.56
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(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
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
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 N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine?
The IUPAC name of 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) is N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine is CN(C)CCOCc1nnn2c1CN(c1cnccn1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine?
The InChIKey is OGYQECRCTCCPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-20(2)8-9-23-12-13-14-11-21(15-10-16-4-5-17-15)6-3-7-22(14)19-18-13/h4-5,10H,3,6-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine?
N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine has a molecular weight of 317.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-pyrazin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanamine is sourced from PubChem (CID 97410131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).