N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine

C14H20N6O — CID 80910625

IUPACN-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C14H20N6O/c1-10(2)20(9-11-7-5-4-6-8-11)13-16-12(19-15)17-14(18-13)21-3/h4-8,10H,9,15H2,1-3H3,(H,16,17,18,19)
InChIKeyFWGXKXTVYZGMMJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.58
Rot. Bonds6

About N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine

N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 80910625) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID80910625
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C14H20N6O/c1-10(2)20(9-11-7-5-4-6-8-11)13-16-12(19-15)17-14(18-13)21-3/h4-8,10H,9,15H2,1-3H3,(H,16,17,18,19)
InChIKeyFWGXKXTVYZGMMJ-UHFFFAOYSA-N
XLogP1.58
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
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

N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917380
2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 80902590
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 55124467
4-hydrazinyl-6-methoxy-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80906839
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534
4-hydrazinyl-N-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80895085
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80906186
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
N-(1-cyclopropylethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80907357
4-hydrazinyl-N-pentyl-N-propan-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900261
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine (CID 80910625) is N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine is COc1nc(NN)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is FWGXKXTVYZGMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)20(9-11-7-5-4-6-8-11)13-16-12(19-15)17-14(18-13)21-3/h4-8,10H,9,15H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80910625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).