4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine

C12H23N7O — CID 80908078

IUPAC4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C12H23N7O/c1-8(2)19-5-4-9(7-19)6-14-10-15-11(18-13)17-12(16-10)20-3/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyYTXZOJVSHAYQNV-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.31
Rot. Bonds6

About 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 80908078) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID80908078
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C12H23N7O/c1-8(2)19-5-4-9(7-19)6-14-10-15-11(18-13)17-12(16-10)20-3/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyYTXZOJVSHAYQNV-UHFFFAOYSA-N
XLogP0.31
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
4-chloro-6-ethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62858554
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80911433
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
6-methoxy-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2,3-diamine
CID 115320664
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
N-[(4-ethylmorpholin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114401570
4-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80899693
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 63676271

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine (CID 80908078) is 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCC2CCN(C(C)C)C2)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is YTXZOJVSHAYQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-8(2)19-5-4-9(7-19)6-14-10-15-11(18-13)17-12(16-10)20-3/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80908078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).