[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine

C13H20N8 — CID 80898508

IUPAC[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCCC1CCCN(c2nc(NN)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C13H20N8/c1-2-10-4-3-6-20(8-10)12-16-11(19-14)17-13(18-12)21-7-5-15-9-21/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,16,17,18,19)
InChIKeyHSNJTBRBVYTCBT-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.97
Rot. Bonds4

About [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80898508) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80898508
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCCC1CCCN(c2nc(NN)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C13H20N8/c1-2-10-4-3-6-20(8-10)12-16-11(19-14)17-13(18-12)21-7-5-15-9-21/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,16,17,18,19)
InChIKeyHSNJTBRBVYTCBT-UHFFFAOYSA-N
XLogP0.97
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
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-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
[4-(3-ethylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898510
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
CID 62864398
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80912708
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80900414
1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 115967439
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80775661

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80898508) is [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine is CCC1CCCN(c2nc(NN)nc(-n3ccnc3)n2)C1.
What is the InChIKey of [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is HSNJTBRBVYTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-2-10-4-3-6-20(8-10)12-16-11(19-14)17-13(18-12)21-7-5-15-9-21/h5,7,9-10H,2-4,6,8,14H2,1H3,(H,16,17,18,19).
What are the key properties of [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 288.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80898508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).