N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine

C14H17N5 — CID 3076970

IUPACN,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCCN(CC)C1=Nc2ccccc2-n2cnnc2C1
InChIInChI=1S/C14H17N5/c1-3-18(4-2)13-9-14-17-15-10-19(14)12-8-6-5-7-11(12)16-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyWERVPEWEZOINSQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.20
Rot. Bonds2

About N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine

N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (PubChem CID 3076970) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.

Molecular Properties

Compound NameN,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
PubChem CID3076970
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCCN(CC)C1=Nc2ccccc2-n2cnnc2C1
InChIInChI=1S/C14H17N5/c1-3-18(4-2)13-9-14-17-15-10-19(14)12-8-6-5-7-11(12)16-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyWERVPEWEZOINSQ-UHFFFAOYSA-N
XLogP2.20
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
(1-((1-Phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 3074553
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 2310790
3,5-Dimethyl-4-phenyl-1,2,4-triazole
CID 12216888
4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dipropyl-
CID 376216
(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 759769
4H-s-Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-1,5-dimethyl-
CID 400094
(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24701192
2-(4-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
CID 4613256
3-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2318726
1-methyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine
CID 12099554
3-(2-Methylpropyl)-4-phenyl-1,2,4-triazole
CID 115393287

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The IUPAC name of N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (CID 3076970) is N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.
What is the SMILES notation for N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The canonical SMILES for N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is CCN(CC)C1=Nc2ccccc2-n2cnnc2C1.
What is the InChIKey of N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The InChIKey is WERVPEWEZOINSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-18(4-2)13-9-14-17-15-10-19(14)12-8-6-5-7-11(12)16-13/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine has a molecular weight of 255.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is sourced from PubChem (CID 3076970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).