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

C13H15N5 — CID 3076968

IUPACN,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCc1nnc2n1-c1ccccc1N=C(N(C)C)C2
InChIInChI=1S/C13H15N5/c1-9-15-16-13-8-12(17(2)3)14-10-6-4-5-7-11(10)18(9)13/h4-7H,8H2,1-3H3
InChIKeyRLHSABHZOVIPNW-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.72
Rot. Bonds

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

N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (PubChem CID 3076968) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
PubChem CID3076968
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
SMILESCc1nnc2n1-c1ccccc1N=C(N(C)C)C2
InChIInChI=1S/C13H15N5/c1-9-15-16-13-8-12(17(2)3)14-10-6-4-5-7-11(10)18(9)13/h4-7H,8H2,1-3H3
InChIKeyRLHSABHZOVIPNW-UHFFFAOYSA-N
XLogP1.72
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.72
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
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
(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
6-(4-chlorophenyl)-1-methyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine
CID 70979369
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-methyl-1-phenyl-1H-1,2,4-triazol-5-amine
CID 11629673

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The IUPAC name of N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine (CID 3076968) is N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine.
What is the SMILES notation for N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The canonical SMILES for N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is Cc1nnc2n1-c1ccccc1N=C(N(C)C)C2.
What is the InChIKey of N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
The InChIKey is RLHSABHZOVIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-15-16-13-8-12(17(2)3)14-10-6-4-5-7-11(10)18(9)13/h4-7H,8H2,1-3H3.
What are the key properties of N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine?
N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine is sourced from PubChem (CID 3076968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).