6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

C16H21N5O2 — CID 71967221

IUPAC6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCCCCCOc1ccccc1C=NNc1nc(=O)[nH]nc1C
InChIInChI=1S/C16H21N5O2/c1-3-4-7-10-23-14-9-6-5-8-13(14)11-17-20-15-12(2)19-21-16(22)18-15/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,18,20,21,22)
InChIKeySIGBQLNXMZCIDS-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.49
Rot. Bonds8

About 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 71967221) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID71967221
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCCCCCOc1ccccc1C=NNc1nc(=O)[nH]nc1C
InChIInChI=1S/C16H21N5O2/c1-3-4-7-10-23-14-9-6-5-8-13(14)11-17-20-15-12(2)19-21-16(22)18-15/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,18,20,21,22)
InChIKeySIGBQLNXMZCIDS-UHFFFAOYSA-N
XLogP2.49
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967164
6-methyl-5-[(2Z)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 7231540
5-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71966470
5-[2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967176
5-[(2E)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514462
5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514494
5-[2-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967175
6-methyl-5-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71967014
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
CID 110338518
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412186

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 71967221) is 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is CCCCCOc1ccccc1C=NNc1nc(=O)[nH]nc1C.
What is the InChIKey of 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is SIGBQLNXMZCIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-4-7-10-23-14-9-6-5-8-13(14)11-17-20-15-12(2)19-21-16(22)18-15/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,18,20,21,22).
What are the key properties of 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 315.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 71967221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).