2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol

C9H15N5O4 — CID 106198965

IUPAC2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O4/c1-18-5-6(4-15)11-9-7(14(16)17)2-3-8(12-9)13-10/h2-3,6,15H,4-5,10H2,1H3,(H2,11,12,13)
InChIKeyPZVCLJBPJUIQRN-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.31
Rot. Bonds7

About 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol (PubChem CID 106198965) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
PubChem CID106198965
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O4/c1-18-5-6(4-15)11-9-7(14(16)17)2-3-8(12-9)13-10/h2-3,6,15H,4-5,10H2,1H3,(H2,11,12,13)
InChIKeyPZVCLJBPJUIQRN-UHFFFAOYSA-N
XLogP-0.31
TPSA135.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
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

4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106162464
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 80924578
6-hydrazinyl-3-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 80904081
2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80897107
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80918744
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol (CID 106198965) is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The InChIKey is PZVCLJBPJUIQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4/c1-18-5-6(4-15)11-9-7(14(16)17)2-3-8(12-9)13-10/h2-3,6,15H,4-5,10H2,1H3,(H2,11,12,13).
What are the key properties of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol?
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol has a molecular weight of 257.25 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).