N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

C13H25N7O — CID 80901082

IUPACN-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC2CCCN(CC)C2)n1
InChIInChI=1S/C13H25N7O/c1-3-8-21-13-17-11(16-12(18-13)19-14)15-10-6-5-7-20(4-2)9-10/h10H,3-9,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyXRQSVDMWJAUEFE-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.84
Rot. Bonds7

About N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80901082) has the molecular formula C13H25N7O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80901082
Molecular FormulaC13H25N7O
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC2CCCN(CC)C2)n1
InChIInChI=1S/C13H25N7O/c1-3-8-21-13-17-11(16-12(18-13)19-14)15-10-6-5-7-20(4-2)9-10/h10H,3-9,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyXRQSVDMWJAUEFE-UHFFFAOYSA-N
XLogP0.84
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.84
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

2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686
4-ethoxy-6-hydrazinyl-N-(1-propylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 80901771
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
4-hydrazinyl-N-(2-methyloxan-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 114110111
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (CID 80901082) is N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NC2CCCN(CC)C2)n1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is XRQSVDMWJAUEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7O/c1-3-8-21-13-17-11(16-12(18-13)19-14)15-10-6-5-7-20(4-2)9-10/h10H,3-9,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80901082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).