6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine

C10H14N8O2 — CID 80895976

IUPAC6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1cccn1)Nc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N8O2/c1-7(5-17-4-2-3-14-17)15-9-8(18(19)20)10(16-11)13-6-12-9/h2-4,6-7H,5,11H2,1H3,(H2,12,13,15,16)
InChIKeyVFPUBAGUCPZRLK-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.37
Rot. Bonds6

About 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine

6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80895976) has the molecular formula C10H14N8O2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID80895976
Molecular FormulaC10H14N8O2
Molecular Weight278.28 g/mol
Exact Mass278.12
IUPAC Name6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1cccn1)Nc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N8O2/c1-7(5-17-4-2-3-14-17)15-9-8(18(19)20)10(16-11)13-6-12-9/h2-4,6-7H,5,11H2,1H3,(H2,12,13,15,16)
InChIKeyVFPUBAGUCPZRLK-UHFFFAOYSA-N
XLogP0.37
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 80782851
3-chloro-2-nitro-N-(1-pyrazol-1-ylpropan-2-yl)aniline
CID 104835805
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808626
6-N-ethyl-5-nitro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809506
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897150
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 114250765
4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-benzothiazol-5-amine
CID 61462636
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034
4-N-butan-2-yl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487237
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine (CID 80895976) is 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine is CC(Cn1cccn1)Nc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is VFPUBAGUCPZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O2/c1-7(5-17-4-2-3-14-17)15-9-8(18(19)20)10(16-11)13-6-12-9/h2-4,6-7H,5,11H2,1H3,(H2,12,13,15,16).
What are the key properties of 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 278.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80895976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).