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

C8H10N8O3 — CID 114185580

IUPAC6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(NN)c2[N+](=O)[O-])no1
InChIInChI=1S/C8H10N8O3/c1-4-13-5(15-19-4)2-10-7-6(16(17)18)8(14-9)12-3-11-7/h3H,2,9H2,1H3,(H2,10,11,12,14)
InChIKeyAHJNUBFESSGFHT-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.03
Rot. Bonds5

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

6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 114185580) has the molecular formula C8H10N8O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID114185580
Molecular FormulaC8H10N8O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(NN)c2[N+](=O)[O-])no1
InChIInChI=1S/C8H10N8O3/c1-4-13-5(15-19-4)2-10-7-6(16(17)18)8(14-9)12-3-11-7/h3H,2,9H2,1H3,(H2,10,11,12,14)
InChIKeyAHJNUBFESSGFHT-UHFFFAOYSA-N
XLogP-0.03
TPSA157.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807
6-methyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 106411590
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
6-hydrazinyl-2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 106412399
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
CID 103703201
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-5-nitropyrimidin-4-amine
CID 102908987
ethyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]acetate
CID 80899244
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 106424721
6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481340
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine (CID 114185580) is 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine is Cc1nc(CNc2ncnc(NN)c2[N+](=O)[O-])no1.
What is the InChIKey of 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is AHJNUBFESSGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O3/c1-4-13-5(15-19-4)2-10-7-6(16(17)18)8(14-9)12-3-11-7/h3H,2,9H2,1H3,(H2,10,11,12,14).
What are the key properties of 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 266.22 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114185580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).