[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine

C10H17N7O2 — CID 114045124

IUPAC[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
SMILESCN1CCCN(c2nc(NN)ncc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H17N7O2/c1-15-3-2-4-16(6-5-15)9-8(17(18)19)7-12-10(13-9)14-11/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyGQIAANOMRIHTNN-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.19
Rot. Bonds3

About [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine

[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine (PubChem CID 114045124) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
PubChem CID114045124
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
SMILESCN1CCCN(c2nc(NN)ncc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H17N7O2/c1-15-3-2-4-16(6-5-15)9-8(17(18)19)7-12-10(13-9)14-11/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyGQIAANOMRIHTNN-UHFFFAOYSA-N
XLogP-0.19
TPSA113.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80931680
[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine
CID 114045026
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 4057749
N-methyl-5-nitro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 114044107
1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 114045123
[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine
CID 114071527
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 80502820
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine (CID 114045124) is [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine is CN1CCCN(c2nc(NN)ncc2[N+](=O)[O-])CC1.
What is the InChIKey of [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
The InChIKey is GQIAANOMRIHTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c1-15-3-2-4-16(6-5-15)9-8(17(18)19)7-12-10(13-9)14-11/h7H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine has a molecular weight of 267.29 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114045124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).