3-phenyl-1,2,4-triazin-5-amine

C9H8N4 — CID 15272334

IUPAC3-phenyl-1,2,4-triazin-5-amine
SMILESNc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C9H8N4/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKeySJXIQUPKRXWFJC-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.12
Rot. Bonds1

About 3-phenyl-1,2,4-triazin-5-amine

3-phenyl-1,2,4-triazin-5-amine (PubChem CID 15272334) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-phenyl-1,2,4-triazin-5-amine
PubChem CID15272334
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name3-phenyl-1,2,4-triazin-5-amine
SMILESNc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C9H8N4/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKeySJXIQUPKRXWFJC-UHFFFAOYSA-N
XLogP1.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-1,2,4-triazin-5-amine
CID 83547754
5-chloro-3-phenyl-1,2,4-triazine
CID 116823690
5-methyl-3-phenyl-1,2,4-triazine
CID 59956311
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 146551238
ethane;3-phenyl-1,2,4,5-tetrazine
CID 177031357
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829
6-phenyl-1,3,5-triazine-2,4-diamine;thiourea
CID 87330411
6-phenylpyridazin-4-amine
CID 13068495
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
3-phenyl-1,2,4-triazine
CID 71236553
carbonic acid;quinoxalin-2-amine
CID 174967362

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-phenyl-1,2,4-triazin-5-amine (CID 15272334) is 3-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-phenyl-1,2,4-triazin-5-amine is Nc1cnnc(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1,2,4-triazin-5-amine?
The InChIKey is SJXIQUPKRXWFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13).
What are the key properties of 3-phenyl-1,2,4-triazin-5-amine?
3-phenyl-1,2,4-triazin-5-amine has a molecular weight of 172.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 15272334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).