4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

C12H17N7O — CID 80906443

IUPAC4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NC(C)c2cccnc2)n1
InChIInChI=1S/C12H17N7O/c1-3-20-12-17-10(16-11(18-12)19-13)15-8(2)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyMQPSYXDOERRBNP-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.12
Rot. Bonds6

About 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 80906443) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
PubChem CID80906443
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NC(C)c2cccnc2)n1
InChIInChI=1S/C12H17N7O/c1-3-20-12-17-10(16-11(18-12)19-13)15-8(2)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyMQPSYXDOERRBNP-UHFFFAOYSA-N
XLogP1.12
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
CID 112636707
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905490
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (CID 80906443) is 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NC(C)c2cccnc2)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is MQPSYXDOERRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-3-20-12-17-10(16-11(18-12)19-13)15-8(2)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 275.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80906443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).