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

C11H20N8O2 — CID 83206301

IUPAC2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
SMILESNNc1nc(NCCOC(N)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H20N8O2/c12-8(20)21-7-4-14-9-15-10(18-13)17-11(16-9)19-5-2-1-3-6-19/h1-7,13H2,(H2,12,20)(H2,14,15,16,17,18)
InChIKeyCQSZUDQHDBFGPI-UHFFFAOYSA-N
MW296.34 g/mol
LogP-0.35
Rot. Bonds6

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

2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate (PubChem CID 83206301) has the molecular formula C11H20N8O2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
PubChem CID83206301
Molecular FormulaC11H20N8O2
Molecular Weight296.34 g/mol
Exact Mass296.17
IUPAC Name2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
SMILESNNc1nc(NCCOC(N)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H20N8O2/c12-8(20)21-7-4-14-9-15-10(18-13)17-11(16-9)19-5-2-1-3-6-19/h1-7,13H2,(H2,12,20)(H2,14,15,16,17,18)
InChIKeyCQSZUDQHDBFGPI-UHFFFAOYSA-N
XLogP-0.35
TPSA144.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324353
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
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
N-ethyl-2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80906845
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 3080163
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279
2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate (CID 83206301) is 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate is NNc1nc(NCCOC(N)=O)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The InChIKey is CQSZUDQHDBFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N8O2/c12-8(20)21-7-4-14-9-15-10(18-13)17-11(16-9)19-5-2-1-3-6-19/h1-7,13H2,(H2,12,20)(H2,14,15,16,17,18).
What are the key properties of 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate has a molecular weight of 296.34 g/mol, XLogP of -0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 83206301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).