3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C17H25N5O — CID 135785009

IUPAC3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(CC12CC3CC(CC(C3)C1)C2)=N/Nc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C17H25N5O/c1-10(19-21-16-18-15(23)11(2)20-22-16)6-17-7-12-3-13(8-17)5-14(4-12)9-17/h12-14H,3-9H2,1-2H3,(H2,18,21,22,23)/b19-10-
InChIKeyFVXYKFQTYWXADF-GRSHGNNSSA-N
MW315.42 g/mol
LogP2.87
Rot. Bonds4

About 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135785009) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135785009
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(CC12CC3CC(CC(C3)C1)C2)=N/Nc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C17H25N5O/c1-10(19-21-16-18-15(23)11(2)20-22-16)6-17-7-12-3-13(8-17)5-14(4-12)9-17/h12-14H,3-9H2,1-2H3,(H2,18,21,22,23)/b19-10-
InChIKeyFVXYKFQTYWXADF-GRSHGNNSSA-N
XLogP2.87
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.87
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-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135785009) is 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is C/C(CC12CC3CC(CC(C3)C1)C2)=N/Nc1nnc(C)c(=O)[nH]1.
What is the InChIKey of 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is FVXYKFQTYWXADF-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H25N5O/c1-10(19-21-16-18-15(23)11(2)20-22-16)6-17-7-12-3-13(8-17)5-14(4-12)9-17/h12-14H,3-9H2,1-2H3,(H2,18,21,22,23)/b19-10-.
What are the key properties of 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 315.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[1-(1-adamantyl)propan-2-ylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135785009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).