2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol

C9H18N6O2 — CID 80918089

IUPAC2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(NN)nc(OC)n1
InChIInChI=1S/C9H18N6O2/c1-4-9(2,5-16)14-6-11-7(15-10)13-8(12-6)17-3/h16H,4-5,10H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyUHZAJROMDZEQHN-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.26
Rot. Bonds6

About 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol

2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 80918089) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
PubChem CID80918089
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(NN)nc(OC)n1
InChIInChI=1S/C9H18N6O2/c1-4-9(2,5-16)14-6-11-7(15-10)13-8(12-6)17-3/h16H,4-5,10H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyUHZAJROMDZEQHN-UHFFFAOYSA-N
XLogP-0.26
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol (CID 80918089) is 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nc(NN)nc(OC)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is UHZAJROMDZEQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-4-9(2,5-16)14-6-11-7(15-10)13-8(12-6)17-3/h16H,4-5,10H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 242.28 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80918089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).