3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C19H17N5O — CID 135784985

IUPAC3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H17N5O/c1-11(21-23-19-20-18(25)12(2)22-24-19)13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9H,10H2,1-2H3,(H2,20,23,24,25)/b21-11-
InChIKeyNZUOIVQRKRHUBI-NHDPSOOVSA-N
MW331.38 g/mol
LogP2.88
Rot. Bonds3

About 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135784985) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135784985
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H17N5O/c1-11(21-23-19-20-18(25)12(2)22-24-19)13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9H,10H2,1-2H3,(H2,20,23,24,25)/b21-11-
InChIKeyNZUOIVQRKRHUBI-NHDPSOOVSA-N
XLogP2.88
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135784985) is 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is C/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is NZUOIVQRKRHUBI-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11(21-23-19-20-18(25)12(2)22-24-19)13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9H,10H2,1-2H3,(H2,20,23,24,25)/b21-11-.
What are the key properties of 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 331.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).