(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine

C8H14N6 — CID 135965162

IUPAC(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
SMILES[H]/N=C(\c1ncn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C8H14N6/c1-13-2-4-14(5-3-13)7(9)8-10-6-11-12-8/h6,9H,2-5H2,1H3,(H,10,11,12)/b9-7+
InChIKeyTWKMBQNHOJRJMF-VQHVLOKHSA-N
MW194.24 g/mol
LogP-0.62
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine

(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 135965162) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID135965162
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
SMILES[H]/N=C(\c1ncn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C8H14N6/c1-13-2-4-14(5-3-13)7(9)8-10-6-11-12-8/h6,9H,2-5H2,1H3,(H,10,11,12)/b9-7+
InChIKeyTWKMBQNHOJRJMF-VQHVLOKHSA-N
XLogP-0.62
TPSA71.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine
CID 135965159
(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine
CID 63840277
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
CID 63179139
(4-methylpiperazin-1-yl)-(6-methyl-2-pyridinyl)methanimine
CID 63555290
4-(4-methylpiperazine-1-carboximidoyl)-2-nitrophenol
CID 135965166
N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965164
1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
CID 55158441
3-methyl-1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63652775
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enenitrile
CID 108862002
N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
CID 83022777
3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118794592

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine (CID 135965162) is (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine is [H]/N=C(\c1ncn[nH]1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is TWKMBQNHOJRJMF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N6/c1-13-2-4-14(5-3-13)7(9)8-10-6-11-12-8/h6,9H,2-5H2,1H3,(H,10,11,12)/b9-7+.
What are the key properties of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine?
(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 194.24 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 135965162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).