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

C19H19N5 — CID 3076965

IUPACN,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCC1C(N(C)C)=Nc2ccccc2-n2c(-c3ccccc3)nnc21
InChIInChI=1S/C19H19N5/c1-13-17(23(2)3)20-15-11-7-8-12-16(15)24-18(13)21-22-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyQRPMJDZDYFAQLP-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.64
Rot. Bonds1

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

N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (PubChem CID 3076965) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
PubChem CID3076965
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCC1C(N(C)C)=Nc2ccccc2-n2c(-c3ccccc3)nnc21
InChIInChI=1S/C19H19N5/c1-13-17(23(2)3)20-15-11-7-8-12-16(15)24-18(13)21-22-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyQRPMJDZDYFAQLP-UHFFFAOYSA-N
XLogP3.64
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The IUPAC name of N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (CID 3076965) is N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.
What is the SMILES notation for N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The canonical SMILES for N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is CC1C(N(C)C)=Nc2ccccc2-n2c(-c3ccccc3)nnc21.
What is the InChIKey of N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The InChIKey is QRPMJDZDYFAQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-17(23(2)3)20-15-11-7-8-12-16(15)24-18(13)21-22-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine has a molecular weight of 317.40 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is sourced from PubChem (CID 3076965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).