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

C12H23N7O — CID 107324353

IUPAC5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
SMILESNNc1nc(NCCCCCO)nc(N2CCCC2)n1
InChIInChI=1S/C12H23N7O/c13-18-11-15-10(14-6-2-1-5-9-20)16-12(17-11)19-7-3-4-8-19/h20H,1-9,13H2,(H2,14,15,16,17,18)
InChIKeyHOEHPNKDJFSKLI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.33
Rot. Bonds8

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

5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol (PubChem CID 107324353) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
PubChem CID107324353
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
SMILESNNc1nc(NCCCCCO)nc(N2CCCC2)n1
InChIInChI=1S/C12H23N7O/c13-18-11-15-10(14-6-2-1-5-9-20)16-12(17-11)19-7-3-4-8-19/h20H,1-9,13H2,(H2,14,15,16,17,18)
InChIKeyHOEHPNKDJFSKLI-UHFFFAOYSA-N
XLogP0.33
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 80900517
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301
3-[[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80929099
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855156
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol (CID 107324353) is 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol is NNc1nc(NCCCCCO)nc(N2CCCC2)n1.
What is the InChIKey of 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The InChIKey is HOEHPNKDJFSKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c13-18-11-15-10(14-6-2-1-5-9-20)16-12(17-11)19-7-3-4-8-19/h20H,1-9,13H2,(H2,14,15,16,17,18).
What are the key properties of 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 0.33, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 107324353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).