7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine

C14H17N5 — CID 54919088

IUPAC7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine
SMILESNc1nnc2c(n1)CCN(CCc1ccccc1)C2
InChIInChI=1S/C14H17N5/c15-14-16-12-7-9-19(10-13(12)17-18-14)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18)
InChIKeyGUNICTOVEWBVFF-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.05
Rot. Bonds3

About 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine

7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine (PubChem CID 54919088) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine.

Molecular Properties

Compound Name7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine
PubChem CID54919088
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine
SMILESNc1nnc2c(n1)CCN(CCc1ccccc1)C2
InChIInChI=1S/C14H17N5/c15-14-16-12-7-9-19(10-13(12)17-18-14)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18)
InChIKeyGUNICTOVEWBVFF-UHFFFAOYSA-N
XLogP1.05
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
CID 62929843
8-(2-phenylethyl)-7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridine
CID 24731687
4-bromo-11-(2-phenylethyl)-5-thia-2,3,7,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-triene
CID 60792931
3-methyl-7-(2-phenylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731725
N-[[5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methyl]ethanamine
CID 62545152
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
2-benzylsulfanyl-6-(2-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137316890
2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56912527
6-(2-phenylethyl)-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137309732
N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide
CID 118895796
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine?
The IUPAC name of 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine (CID 54919088) is 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine.
What is the SMILES notation for 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine?
The canonical SMILES for 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine is Nc1nnc2c(n1)CCN(CCc1ccccc1)C2.
What is the InChIKey of 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine?
The InChIKey is GUNICTOVEWBVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-14-16-12-7-9-19(10-13(12)17-18-14)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18).
What are the key properties of 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine?
7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine has a molecular weight of 255.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine is sourced from PubChem (CID 54919088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).