2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H21N9 — CID 115991955

IUPAC2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1nn(C)cc1CNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C12H21N9/c1-5-9-8(7-21(4)19-9)6-14-10-15-11(18-13)17-12(16-10)20(2)3/h7H,5-6,13H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyZDKOKIUUYULHHB-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.13
Rot. Bonds6

About 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 115991955) has the molecular formula C12H21N9 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID115991955
Molecular FormulaC12H21N9
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1nn(C)cc1CNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C12H21N9/c1-5-9-8(7-21(4)19-9)6-14-10-15-11(18-13)17-12(16-10)20(2)3/h7H,5-6,13H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyZDKOKIUUYULHHB-UHFFFAOYSA-N
XLogP0.13
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115990421
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971957
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
2-tert-butyl-4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 115991808
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 115991955) is 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCc1nn(C)cc1CNc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZDKOKIUUYULHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N9/c1-5-9-8(7-21(4)19-9)6-14-10-15-11(18-13)17-12(16-10)20(2)3/h7H,5-6,13H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115991955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).