5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C9H12ClN7O — CID 106424726

IUPAC5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CCNc2nc(NN)ncc2Cl)no1
InChIInChI=1S/C9H12ClN7O/c1-5-14-7(17-18-5)2-3-12-8-6(10)4-13-9(15-8)16-11/h4H,2-3,11H2,1H3,(H2,12,13,15,16)
InChIKeyAQZVHYGQCOBANB-UHFFFAOYSA-N
MW269.70 g/mol
LogP0.76
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106424726) has the molecular formula C9H12ClN7O and a molecular weight of 269.70 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106424726
Molecular FormulaC9H12ClN7O
Molecular Weight269.70 g/mol
Exact Mass269.08
IUPAC Name5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CCNc2nc(NN)ncc2Cl)no1
InChIInChI=1S/C9H12ClN7O/c1-5-14-7(17-18-5)2-3-12-8-6(10)4-13-9(15-8)16-11/h4H,2-3,11H2,1H3,(H2,12,13,15,16)
InChIKeyAQZVHYGQCOBANB-UHFFFAOYSA-N
XLogP0.76
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 50.76
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

5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412573
2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114187027
5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80903865
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106424726) is 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(CCNc2nc(NN)ncc2Cl)no1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is AQZVHYGQCOBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN7O/c1-5-14-7(17-18-5)2-3-12-8-6(10)4-13-9(15-8)16-11/h4H,2-3,11H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 269.70 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106424726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).