N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C19H17N5 — CID 42864660

IUPACN-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESc1ccc(CNc2nc3ccccc3c3nnc(C4CC4)n23)cc1
InChIInChI=1S/C19H17N5/c1-2-6-13(7-3-1)12-20-19-21-16-9-5-4-8-15(16)18-23-22-17(24(18)19)14-10-11-14/h1-9,14H,10-12H2,(H,20,21)
InChIKeyLPWYMHNDXKXRGJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.77
Rot. Bonds4

About N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 42864660) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID42864660
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESc1ccc(CNc2nc3ccccc3c3nnc(C4CC4)n23)cc1
InChIInChI=1S/C19H17N5/c1-2-6-13(7-3-1)12-20-19-21-16-9-5-4-8-15(16)18-23-22-17(24(18)19)14-10-11-14/h1-9,14H,10-12H2,(H,20,21)
InChIKeyLPWYMHNDXKXRGJ-UHFFFAOYSA-N
XLogP3.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864553
N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063256
N-benzyl-8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063280
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42852416
N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 46063488
6-cyclopropylbenzimidazolo[1,2-c]quinazoline
CID 70651535
N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine
CID 24740909
N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864602
1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylic acid
CID 68723847
1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 46064475
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880332

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 42864660) is N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is c1ccc(CNc2nc3ccccc3c3nnc(C4CC4)n23)cc1.
What is the InChIKey of N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is LPWYMHNDXKXRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-6-13(7-3-1)12-20-19-21-16-9-5-4-8-15(16)18-23-22-17(24(18)19)14-10-11-14/h1-9,14H,10-12H2,(H,20,21).
What are the key properties of N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 42864660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).