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

C11H19N9 — CID 106043401

IUPAC2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1c(CNc2nc(NN)nc(N(C)C)n2)cnn1C
InChIInChI=1S/C11H19N9/c1-7-8(6-14-20(7)4)5-13-9-15-10(18-12)17-11(16-9)19(2)3/h6H,5,12H2,1-4H3,(H2,13,15,16,17,18)
InChIKeyIBPJVNIMLJLUQQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.12
Rot. Bonds5

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

2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106043401) has the molecular formula C11H19N9 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID106043401
Molecular FormulaC11H19N9
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC Name2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1c(CNc2nc(NN)nc(N(C)C)n2)cnn1C
InChIInChI=1S/C11H19N9/c1-7-8(6-14-20(7)4)5-13-9-15-10(18-12)17-11(16-9)19(2)3/h6H,5,12H2,1-4H3,(H2,13,15,16,17,18)
InChIKeyIBPJVNIMLJLUQQ-UHFFFAOYSA-N
XLogP-0.12
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.12
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'}

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Related Compounds

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
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80897667
4-hydrazinyl-N,N-dimethyl-6-(4-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80900827
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 114139889
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 106043401) is 2-N-[(1,5-dimethylpyrazol-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-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1c(CNc2nc(NN)nc(N(C)C)n2)cnn1C.
What is the InChIKey of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IBPJVNIMLJLUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9/c1-7-8(6-14-20(7)4)5-13-9-15-10(18-12)17-11(16-9)19(2)3/h6H,5,12H2,1-4H3,(H2,13,15,16,17,18).
What are the key properties of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106043401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).