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

C10H14N8O2 — CID 106043390

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCc1c(CNc2nc(NN)ncc2[N+](=O)[O-])cnn1C
InChIInChI=1S/C10H14N8O2/c1-6-7(4-14-17(6)2)3-12-9-8(18(19)20)5-13-10(15-9)16-11/h4-5H,3,11H2,1-2H3,(H2,12,13,15,16)
InChIKeyDVWBGDAKHVBPJP-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.32
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 106043390) has the molecular formula C10H14N8O2 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID106043390
Molecular FormulaC10H14N8O2
Molecular Weight278.28 g/mol
Exact Mass278.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCc1c(CNc2nc(NN)ncc2[N+](=O)[O-])cnn1C
InChIInChI=1S/C10H14N8O2/c1-6-7(4-14-17(6)2)3-12-9-8(18(19)20)5-13-10(15-9)16-11/h4-5H,3,11H2,1-2H3,(H2,12,13,15,16)
InChIKeyDVWBGDAKHVBPJP-UHFFFAOYSA-N
XLogP0.32
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.32
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

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106041456
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
CID 106048232
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 106034578
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81136342
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitroaniline
CID 79578283
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 114045249
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-nitroaniline
CID 79569430

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine (CID 106043390) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine is Cc1c(CNc2nc(NN)ncc2[N+](=O)[O-])cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is DVWBGDAKHVBPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O2/c1-6-7(4-14-17(6)2)3-12-9-8(18(19)20)5-13-10(15-9)16-11/h4-5H,3,11H2,1-2H3,(H2,12,13,15,16).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 278.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 106043390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).