3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine

C16H19ClN6 — CID 112939151

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
SMILESClc1cccc(N2CCN(c3nncc(NC4CC4)n3)CC2)c1
InChIInChI=1S/C16H19ClN6/c17-12-2-1-3-14(10-12)22-6-8-23(9-7-22)16-20-15(11-18-21-16)19-13-4-5-13/h1-3,10-11,13H,4-9H2,(H,19,20,21)
InChIKeyIYEZUELCTTTYEX-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.43
Rot. Bonds4

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine (PubChem CID 112939151) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
PubChem CID112939151
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
SMILESClc1cccc(N2CCN(c3nncc(NC4CC4)n3)CC2)c1
InChIInChI=1S/C16H19ClN6/c17-12-2-1-3-14(10-12)22-6-8-23(9-7-22)16-20-15(11-18-21-16)19-13-4-5-13/h1-3,10-11,13H,4-9H2,(H,19,20,21)
InChIKeyIYEZUELCTTTYEX-UHFFFAOYSA-N
XLogP2.43
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942226
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8546599
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine (CID 112939151) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine is Clc1cccc(N2CCN(c3nncc(NC4CC4)n3)CC2)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine?
The InChIKey is IYEZUELCTTTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c17-12-2-1-3-14(10-12)22-6-8-23(9-7-22)16-20-15(11-18-21-16)19-13-4-5-13/h1-3,10-11,13H,4-9H2,(H,19,20,21).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine?
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine has a molecular weight of 330.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112939151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).