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

C9H11ClN6OS — CID 80912485

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H11ClN6OS/c1-17-9-14-7(13-8(15-9)16-11)12-4-5-2-3-6(10)18-5/h2-3H,4,11H2,1H3,(H2,12,13,14,15,16)
InChIKeyKJLBZDRMVYPOAL-UHFFFAOYSA-N
MW286.75 g/mol
LogP1.49
Rot. Bonds5

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

N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80912485) has the molecular formula C9H11ClN6OS and a molecular weight of 286.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80912485
Molecular FormulaC9H11ClN6OS
Molecular Weight286.75 g/mol
Exact Mass286.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H11ClN6OS/c1-17-9-14-7(13-8(15-9)16-11)12-4-5-2-3-6(10)18-5/h2-3H,4,11H2,1H3,(H2,12,13,14,15,16)
InChIKeyKJLBZDRMVYPOAL-UHFFFAOYSA-N
XLogP1.49
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103702670
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 114139975
2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821924
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80932085
6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836550
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80913534
4-hydrazinyl-6-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-amine
CID 80908132
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
4-hydrazinyl-6-methoxy-N-[(6-methyl-3-pyridinyl)methyl]-1,3,5-triazin-2-amine
CID 80913655
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80912485) is N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is KJLBZDRMVYPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6OS/c1-17-9-14-7(13-8(15-9)16-11)12-4-5-2-3-6(10)18-5/h2-3H,4,11H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 286.75 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80912485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).