N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H11BrN8S — CID 80929302

IUPACN-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2sccc2Br)nc(-n2cccn2)n1
InChIInChI=1S/C11H11BrN8S/c12-7-2-5-21-8(7)6-14-9-16-10(19-13)18-11(17-9)20-4-1-3-15-20/h1-5H,6,13H2,(H2,14,16,17,18,19)
InChIKeyKCIABFNMMKYMRG-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.78
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80929302) has the molecular formula C11H11BrN8S and a molecular weight of 367.24 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80929302
Molecular FormulaC11H11BrN8S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2sccc2Br)nc(-n2cccn2)n1
InChIInChI=1S/C11H11BrN8S/c12-7-2-5-21-8(7)6-14-9-16-10(19-13)18-11(17-9)20-4-1-3-15-20/h1-5H,6,13H2,(H2,14,16,17,18,19)
InChIKeyKCIABFNMMKYMRG-UHFFFAOYSA-N
XLogP1.78
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.78
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 N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine 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-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80930025
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 78943493
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80912003
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80911229
5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80909185

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80929302) is N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is NNc1nc(NCc2sccc2Br)nc(-n2cccn2)n1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KCIABFNMMKYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN8S/c12-7-2-5-21-8(7)6-14-9-16-10(19-13)18-11(17-9)20-4-1-3-15-20/h1-5H,6,13H2,(H2,14,16,17,18,19).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 367.24 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80929302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).