1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine

C24H19N5 — CID 163955466

IUPAC1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H19N5/c25-24(11-12-24)18-8-6-17(7-9-18)22-19(16-4-2-1-3-5-16)14-20-21(27-22)10-13-29-15-26-28-23(20)29/h1-10,13-15H,11-12,25H2
InChIKeySCYRRCULYWVEPI-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.56
Rot. Bonds3

About 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine

1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine (PubChem CID 163955466) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
PubChem CID163955466
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H19N5/c25-24(11-12-24)18-8-6-17(7-9-18)22-19(16-4-2-1-3-5-16)14-20-21(27-22)10-13-29-15-26-28-23(20)29/h1-10,13-15H,11-12,25H2
InChIKeySCYRRCULYWVEPI-UHFFFAOYSA-N
XLogP4.56
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
CID 24960031
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
tert-butyl-[1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamic acid
CID 25057611
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
CID 59473046
1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclohexan-1-amine;dihydrochloride
CID 67254639
[8-[4-(1-aminocyclopropyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methanol;4-[3-(hydroxymethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]benzaldehyde;4-[3-(hydroxymethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]benzonitrile
CID 160991902
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 24963919
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24968889
[1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol
CID 24968539

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine (CID 163955466) is 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine is NC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine?
The InChIKey is SCYRRCULYWVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c25-24(11-12-24)18-8-6-17(7-9-18)22-19(16-4-2-1-3-5-16)14-20-21(27-22)10-13-29-15-26-28-23(20)29/h1-10,13-15H,11-12,25H2.
What are the key properties of 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine?
1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine has a molecular weight of 377.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 163955466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).