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

C9H13N7O — CID 106424681

IUPAC6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CCNc2cc(NN)ncn2)no1
InChIInChI=1S/C9H13N7O/c1-6-14-7(16-17-6)2-3-11-8-4-9(15-10)13-5-12-8/h4-5H,2-3,10H2,1H3,(H2,11,12,13,15)
InChIKeyGVDZRXHRRYAVCF-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.11
Rot. Bonds5

About 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106424681) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106424681
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CCNc2cc(NN)ncn2)no1
InChIInChI=1S/C9H13N7O/c1-6-14-7(16-17-6)2-3-11-8-4-9(15-10)13-5-12-8/h4-5H,2-3,10H2,1H3,(H2,11,12,13,15)
InChIKeyGVDZRXHRRYAVCF-UHFFFAOYSA-N
XLogP0.11
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.11
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

4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
6-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413961
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 114186343
6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424198
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 113243842
6-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 114186357

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106424681) is 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(CCNc2cc(NN)ncn2)no1.
What is the InChIKey of 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is GVDZRXHRRYAVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-6-14-7(16-17-6)2-3-11-8-4-9(15-10)13-5-12-8/h4-5H,2-3,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 235.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106424681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).