3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol

C12H18N4O3 — CID 106138658

IUPAC3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
SMILESNNc1cccc(NCC2CCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-15-11-3-1-2-10(12(11)16(18)19)14-7-8-4-5-9(17)6-8/h1-3,8-9,14-15,17H,4-7,13H2
InChIKeyPTHDGFOPNSZZCM-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.45
Rot. Bonds5

About 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol

3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol (PubChem CID 106138658) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
PubChem CID106138658
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
SMILESNNc1cccc(NCC2CCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-15-11-3-1-2-10(12(11)16(18)19)14-7-8-4-5-9(17)6-8/h1-3,8-9,14-15,17H,4-7,13H2
InChIKeyPTHDGFOPNSZZCM-UHFFFAOYSA-N
XLogP1.45
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 80921595
3-[[3-(ethylamino)-2-nitroanilino]methyl]cyclopentan-1-ol
CID 106137977
3-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106127905
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
3-[(3-methylsulfonyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 103269800
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
CID 66005060
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
3-N-(cyclopropylmethyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80770395

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol (CID 106138658) is 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol is NNc1cccc(NCC2CCC(O)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
The InChIKey is PTHDGFOPNSZZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-15-11-3-1-2-10(12(11)16(18)19)14-7-8-4-5-9(17)6-8/h1-3,8-9,14-15,17H,4-7,13H2.
What are the key properties of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).