4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H20N6O — CID 80898763

IUPAC4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccccc1CNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C14H20N6O/c1-9(2)21-14-18-12(17-13(19-14)20-15)16-8-11-7-5-4-6-10(11)3/h4-7,9H,8,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYBEIVCAVFANZOI-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.86
Rot. Bonds6

About 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80898763) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80898763
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccccc1CNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C14H20N6O/c1-9(2)21-14-18-12(17-13(19-14)20-15)16-8-11-7-5-4-6-10(11)3/h4-7,9H,8,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYBEIVCAVFANZOI-UHFFFAOYSA-N
XLogP1.86
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902613
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
N-(furan-2-ylmethyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80932923
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796
N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80929885
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80791524
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907927

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80898763) is 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1ccccc1CNc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is YBEIVCAVFANZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)21-14-18-12(17-13(19-14)20-15)16-8-11-7-5-4-6-10(11)3/h4-7,9H,8,15H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80898763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).