3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine

C12H18N6 — CID 66276224

IUPAC3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CCCNc1n[nH]c(N)n1)c1ccccc1
InChIInChI=1S/C12H18N6/c1-18(10-6-3-2-4-7-10)9-5-8-14-12-15-11(13)16-17-12/h2-4,6-7H,5,8-9H2,1H3,(H4,13,14,15,16,17)
InChIKeyAHYLSBLYUCONEW-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.33
Rot. Bonds6

About 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276224) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276224
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CCCNc1n[nH]c(N)n1)c1ccccc1
InChIInChI=1S/C12H18N6/c1-18(10-6-3-2-4-7-10)9-5-8-14-12-15-11(13)16-17-12/h2-4,6-7H,5,8-9H2,1H3,(H4,13,14,15,16,17)
InChIKeyAHYLSBLYUCONEW-UHFFFAOYSA-N
XLogP1.33
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine 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

2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
CID 55012088
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
4-methyl-1-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 62910733
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine
CID 160905603
5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 115980597
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide
CID 110914236
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine (CID 66276224) is 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine is CN(CCCNc1n[nH]c(N)n1)c1ccccc1.
What is the InChIKey of 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is AHYLSBLYUCONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-18(10-6-3-2-4-7-10)9-5-8-14-12-15-11(13)16-17-12/h2-4,6-7H,5,8-9H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).