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

C8H10ClN7O — CID 106412573

IUPAC5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESNNc1ncc(Cl)c(NCCc2ncon2)n1
InChIInChI=1S/C8H10ClN7O/c9-5-3-12-8(15-10)14-7(5)11-2-1-6-13-4-17-16-6/h3-4H,1-2,10H2,(H2,11,12,14,15)
InChIKeyULQUKPOBBYLIAB-UHFFFAOYSA-N
MW255.67 g/mol
LogP0.45
Rot. Bonds5

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

5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106412573) has the molecular formula C8H10ClN7O and a molecular weight of 255.67 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106412573
Molecular FormulaC8H10ClN7O
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESNNc1ncc(Cl)c(NCCc2ncon2)n1
InChIInChI=1S/C8H10ClN7O/c9-5-3-12-8(15-10)14-7(5)11-2-1-6-13-4-17-16-6/h3-4H,1-2,10H2,(H2,11,12,14,15)
InChIKeyULQUKPOBBYLIAB-UHFFFAOYSA-N
XLogP0.45
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 50.45
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-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
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-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412556
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106412206
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106412573) is 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is NNc1ncc(Cl)c(NCCc2ncon2)n1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ULQUKPOBBYLIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7O/c9-5-3-12-8(15-10)14-7(5)11-2-1-6-13-4-17-16-6/h3-4H,1-2,10H2,(H2,11,12,14,15).
What are the key properties of 5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 255.67 g/mol, XLogP of 0.45, 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-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106412573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).