(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid

C15H14N6O2 — CID 57360529

IUPAC(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc2nnc(-c3ccccc3)nc2c(N)n1
InChIInChI=1S/C15H14N6O2/c1-2-21(15(22)23)11-8-10-12(13(16)17-11)18-14(20-19-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,16,17)(H,22,23)
InChIKeyNJUFBLQSUJTVKP-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.17
Rot. Bonds3

About (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid

(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid (PubChem CID 57360529) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid.

Molecular Properties

Compound Name(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid
PubChem CID57360529
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc2nnc(-c3ccccc3)nc2c(N)n1
InChIInChI=1S/C15H14N6O2/c1-2-21(15(22)23)11-8-10-12(13(16)17-11)18-14(20-19-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,16,17)(H,22,23)
InChIKeyNJUFBLQSUJTVKP-UHFFFAOYSA-N
XLogP2.17
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid
CID 57371806
N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate
CID 57349583
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
1-cyclohepta[b]pyrrol-2-yl-1-ethyl-3-phenylurea
CID 10613536
[6-amino-4-(4-chloroanilino)-5-nitro-2-pyridinyl]-ethylcarbamic acid
CID 57375744
N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate
CID 71432124
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
CID 71845196
1,1'-biphenyl;propanamide
CID 155213147
ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404626
ethyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate
CID 86072474
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828601
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid?
The IUPAC name of (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid (CID 57360529) is (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid.
What is the SMILES notation for (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid?
The canonical SMILES for (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid is CCN(C(=O)O)c1cc2nnc(-c3ccccc3)nc2c(N)n1.
What is the InChIKey of (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid?
The InChIKey is NJUFBLQSUJTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-2-21(15(22)23)11-8-10-12(13(16)17-11)18-14(20-19-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,16,17)(H,22,23).
What are the key properties of (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid?
(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid has a molecular weight of 310.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid is sourced from PubChem (CID 57360529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).