3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol

C11H17N5O3 — CID 114071507

IUPAC3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc([N+](=O)[O-])cc(NN)n1
InChIInChI=1S/C11H17N5O3/c1-15(6-7-2-9(17)3-7)11-5-8(16(18)19)4-10(13-11)14-12/h4-5,7,9,17H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyBYZFYHRLYREDRL-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.48
Rot. Bonds5

About 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol

3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 114071507) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID114071507
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc([N+](=O)[O-])cc(NN)n1
InChIInChI=1S/C11H17N5O3/c1-15(6-7-2-9(17)3-7)11-5-8(16(18)19)4-10(13-11)14-12/h4-5,7,9,17H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyBYZFYHRLYREDRL-UHFFFAOYSA-N
XLogP0.48
TPSA117.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 114071562
3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80856654
5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 107372474
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
CID 114071065
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720506
6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
CID 114071424
3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
CID 114071210
[1-(6-hydrazinyl-4-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 114071494
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol (CID 114071507) is 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1cc([N+](=O)[O-])cc(NN)n1.
What is the InChIKey of 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is BYZFYHRLYREDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15(6-7-2-9(17)3-7)11-5-8(16(18)19)4-10(13-11)14-12/h4-5,7,9,17H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 267.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 114071507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).