3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile

C11H16N10 — CID 80900254

IUPAC3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N10/c1-8(2)20(5-3-4-12)10-16-9(19-13)17-11(18-10)21-7-14-6-15-21/h6-8H,3,5,13H2,1-2H3,(H,16,17,18,19)
InChIKeyIQCCZAYMLJYPEB-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.13
Rot. Bonds6

About 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile

3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile (PubChem CID 80900254) has the molecular formula C11H16N10 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
PubChem CID80900254
Molecular FormulaC11H16N10
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N10/c1-8(2)20(5-3-4-12)10-16-9(19-13)17-11(18-10)21-7-14-6-15-21/h6-8H,3,5,13H2,1-2H3,(H,16,17,18,19)
InChIKeyIQCCZAYMLJYPEB-UHFFFAOYSA-N
XLogP-0.13
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile 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

3-[ethyl-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80787973
4-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 81062932
3-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
CID 80814293
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80922653
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
N-ethyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900792
2-methyl-3-[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80809894
4-chloro-N-ethyl-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868704
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
[4-(4,5-dimethylimidazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80900370
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80810624
[4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80912010

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile (CID 80900254) is 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)c1nc(NN)nc(-n2cncn2)n1.
What is the InChIKey of 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
The InChIKey is IQCCZAYMLJYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N10/c1-8(2)20(5-3-4-12)10-16-9(19-13)17-11(18-10)21-7-14-6-15-21/h6-8H,3,5,13H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile has a molecular weight of 288.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 80900254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).