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

C8H10ClN7O — CID 80903865

IUPAC5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(CNc2nc(NN)ncc2Cl)n1
InChIInChI=1S/C8H10ClN7O/c1-4-13-6(17-16-4)3-11-7-5(9)2-12-8(14-7)15-10/h2H,3,10H2,1H3,(H2,11,12,14,15)
InChIKeyLGOBNQXPHPJUCH-UHFFFAOYSA-N
MW255.67 g/mol
LogP0.72
Rot. Bonds4

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

5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 80903865) has the molecular formula C8H10ClN7O and a molecular weight of 255.67 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID80903865
Molecular FormulaC8H10ClN7O
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1noc(CNc2nc(NN)ncc2Cl)n1
InChIInChI=1S/C8H10ClN7O/c1-4-13-6(17-16-4)3-11-7-5(9)2-12-8(14-7)15-10/h2H,3,10H2,1H3,(H2,11,12,14,15)
InChIKeyLGOBNQXPHPJUCH-UHFFFAOYSA-N
XLogP0.72
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 50.72
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-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 81005936
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
3,5-dichloro-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106424765
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 80903865) is 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1noc(CNc2nc(NN)ncc2Cl)n1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is LGOBNQXPHPJUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7O/c1-4-13-6(17-16-4)3-11-7-5(9)2-12-8(14-7)15-10/h2H,3,10H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 255.67 g/mol, XLogP of 0.72, 4 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80903865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).