3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol

C12H23N7O — CID 80915279

IUPAC3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1nc(NN)nc(N2CCCCC2)n1
InChIInChI=1S/C12H23N7O/c1-9(8-20)7-14-10-15-11(18-13)17-12(16-10)19-5-3-2-4-6-19/h9,20H,2-8,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyODQDZDLSNFHMQY-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.19
Rot. Bonds6

About 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol

3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 80915279) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
PubChem CID80915279
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1nc(NN)nc(N2CCCCC2)n1
InChIInChI=1S/C12H23N7O/c1-9(8-20)7-14-10-15-11(18-13)17-12(16-10)19-5-3-2-4-6-19/h9,20H,2-8,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyODQDZDLSNFHMQY-UHFFFAOYSA-N
XLogP0.19
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
3-[[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80929099
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324353

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (CID 80915279) is 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is CC(CO)CNc1nc(NN)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is ODQDZDLSNFHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-9(8-20)7-14-10-15-11(18-13)17-12(16-10)19-5-3-2-4-6-19/h9,20H,2-8,13H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80915279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).