2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C12H15N5 — CID 117128477

IUPAC2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1ccc(-c2nc3n(n2)C(N)CCC3)cc1
InChIInChI=1S/C12H15N5/c13-9-6-4-8(5-7-9)12-15-11-3-1-2-10(14)17(11)16-12/h4-7,10H,1-3,13-14H2
InChIKeyJRGRRZNSSLHQQQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.32
Rot. Bonds1

About 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117128477) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117128477
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1ccc(-c2nc3n(n2)C(N)CCC3)cc1
InChIInChI=1S/C12H15N5/c13-9-6-4-8(5-7-9)12-15-11-3-1-2-10(14)17(11)16-12/h4-7,10H,1-3,13-14H2
InChIKeyJRGRRZNSSLHQQQ-UHFFFAOYSA-N
XLogP1.32
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117128421
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)aniline
CID 35395996
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128680
2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 112711625
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117155823
2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155703
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155771
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155468
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155313
2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155697
2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128618

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117128477) is 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1ccc(-c2nc3n(n2)C(N)CCC3)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is JRGRRZNSSLHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-9-6-4-8(5-7-9)12-15-11-3-1-2-10(14)17(11)16-12/h4-7,10H,1-3,13-14H2.
What are the key properties of 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 229.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117128477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).