[4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine

C14H18ClN7 — CID 143269731

IUPAC[4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine
SMILESCc1cc(-c2nnc(Cl)c(N3CCNCC3)n2)ccc1NN
InChIInChI=1S/C14H18ClN7/c1-9-8-10(2-3-11(9)19-16)13-18-14(12(15)20-21-13)22-6-4-17-5-7-22/h2-3,8,17,19H,4-7,16H2,1H3
InChIKeyRVONGKOBKMVBCB-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.20
Rot. Bonds3

About [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine

[4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine (PubChem CID 143269731) has the molecular formula C14H18ClN7 and a molecular weight of 319.80 g/mol. Its IUPAC name is [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine.

Molecular Properties

Compound Name[4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine
PubChem CID143269731
Molecular FormulaC14H18ClN7
Molecular Weight319.80 g/mol
Exact Mass319.13
IUPAC Name[4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine
SMILESCc1cc(-c2nnc(Cl)c(N3CCNCC3)n2)ccc1NN
InChIInChI=1S/C14H18ClN7/c1-9-8-10(2-3-11(9)19-16)13-18-14(12(15)20-21-13)22-6-4-17-5-7-22/h2-3,8,17,19H,4-7,16H2,1H3
InChIKeyRVONGKOBKMVBCB-UHFFFAOYSA-N
XLogP1.20
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine?
The IUPAC name of [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine (CID 143269731) is [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine.
What is the SMILES notation for [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine?
The canonical SMILES for [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine is Cc1cc(-c2nnc(Cl)c(N3CCNCC3)n2)ccc1NN.
What is the InChIKey of [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine?
The InChIKey is RVONGKOBKMVBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7/c1-9-8-10(2-3-11(9)19-16)13-18-14(12(15)20-21-13)22-6-4-17-5-7-22/h2-3,8,17,19H,4-7,16H2,1H3.
What are the key properties of [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine?
[4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine has a molecular weight of 319.80 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-5-piperazin-1-yl-1,2,4-triazin-3-yl)-2-methylphenyl]hydrazine is sourced from PubChem (CID 143269731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).