3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine

C19H21N7 — CID 112951853

IUPAC3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESc1ccc(N2CCN(c3nncc(NCc4ccccn4)n3)CC2)cc1
InChIInChI=1S/C19H21N7/c1-2-7-17(8-3-1)25-10-12-26(13-11-25)19-23-18(15-22-24-19)21-14-16-6-4-5-9-20-16/h1-9,15H,10-14H2,(H,21,23,24)
InChIKeyBKRVZUFNAGQMRW-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine

3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 112951853) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID112951853
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESc1ccc(N2CCN(c3nncc(NCc4ccccn4)n3)CC2)cc1
InChIInChI=1S/C19H21N7/c1-2-7-17(8-3-1)25-10-12-26(13-11-25)19-23-18(15-22-24-19)21-14-16-6-4-5-9-20-16/h1-9,15H,10-14H2,(H,21,23,24)
InChIKeyBKRVZUFNAGQMRW-UHFFFAOYSA-N
XLogP2.21
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112942024
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112954337
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
3-N-(2-morpholin-4-ylethyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112945265
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951329
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559
4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine
CID 45495177
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine (CID 112951853) is 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine is c1ccc(N2CCN(c3nncc(NCc4ccccn4)n3)CC2)cc1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is BKRVZUFNAGQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-7-17(8-3-1)25-10-12-26(13-11-25)19-23-18(15-22-24-19)21-14-16-6-4-5-9-20-16/h1-9,15H,10-14H2,(H,21,23,24).
What are the key properties of 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 347.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112951853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).