N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine

C13H18N6 — CID 141282705

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine
SMILESCN1CCN(c2ccc(Nn3cncn3)cc2)CC1
InChIInChI=1S/C13H18N6/c1-17-6-8-18(9-7-17)13-4-2-12(3-5-13)16-19-11-14-10-15-19/h2-5,10-11,16H,6-9H2,1H3
InChIKeyHFVRQMFJJRVUBV-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.91
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine (PubChem CID 141282705) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine
PubChem CID141282705
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine
SMILESCN1CCN(c2ccc(Nn3cncn3)cc2)CC1
InChIInChI=1S/C13H18N6/c1-17-6-8-18(9-7-17)13-4-2-12(3-5-13)16-19-11-14-10-15-19/h2-5,10-11,16H,6-9H2,1H3
InChIKeyHFVRQMFJJRVUBV-UHFFFAOYSA-N
XLogP0.91
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one
CID 172834296
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine
CID 123924900
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814112
4-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866957
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
CID 112719833

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine (CID 141282705) is N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine is CN1CCN(c2ccc(Nn3cncn3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine?
The InChIKey is HFVRQMFJJRVUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-17-6-8-18(9-7-17)13-4-2-12(3-5-13)16-19-11-14-10-15-19/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine has a molecular weight of 258.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine is sourced from PubChem (CID 141282705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).