N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C17H15N5 — CID 35182093

IUPACN-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESC[C@H](Nc1nn2cnnc2c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N5/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-20-18-11-22(17)21-16/h2-12H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyLVQBGAWHKGARFI-LBPRGKRZSA-N
MW289.34 g/mol
LogP3.45
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 35182093) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID35182093
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESC[C@H](Nc1nn2cnnc2c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N5/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-20-18-11-22(17)21-16/h2-12H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyLVQBGAWHKGARFI-LBPRGKRZSA-N
XLogP3.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 35182091
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 21250142
N-[(E)-1-(4-aminophenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 19662003
2-methyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8892490
N-(1-phenylethyl)-4-thiophen-3-ylphthalazin-1-amine
CID 15295309
4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142134
3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 166476295
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
2-N,2-N-diethyl-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729230
[1-methyl-4-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 40642413
4-methyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]phthalazin-1-amine
CID 134713109
3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
CID 66699794

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 35182093) is N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is C[C@H](Nc1nn2cnnc2c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is LVQBGAWHKGARFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15N5/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-20-18-11-22(17)21-16/h2-12H,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 289.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 35182093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).