3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol

C12H21ClN4O — CID 62890826

IUPAC3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C12H21ClN4O/c1-9(2)17(6-3-7-18)8-11-10(13)4-5-12(15-11)16-14/h4-5,9,18H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyXHDPKADDBQLWDF-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.61
Rot. Bonds7

About 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol

3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62890826) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID62890826
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C12H21ClN4O/c1-9(2)17(6-3-7-18)8-11-10(13)4-5-12(15-11)16-14/h4-5,9,18H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyXHDPKADDBQLWDF-UHFFFAOYSA-N
XLogP1.61
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 62892231
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62890496
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
CID 62892380
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propan-2-ol
CID 62892238
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol
CID 62890480
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
CID 62891307
3-[(2,6-dichloro-3-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 106993640
3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62245164
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 55127154
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol (CID 62890826) is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)Cc1nc(NN)ccc1Cl.
What is the InChIKey of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is XHDPKADDBQLWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-9(2)17(6-3-7-18)8-11-10(13)4-5-12(15-11)16-14/h4-5,9,18H,3,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol?
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 272.78 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62890826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).