2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol

C13H24N4O — CID 105362502

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
SMILESCCc1nnc(NC(CO)CC(C)C)nc1CC
InChIInChI=1S/C13H24N4O/c1-5-11-12(6-2)16-17-13(15-11)14-10(8-18)7-9(3)4/h9-10,18H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyBJBUOBQGOSFPTM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds7

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol (PubChem CID 105362502) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
PubChem CID105362502
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
SMILESCCc1nnc(NC(CO)CC(C)C)nc1CC
InChIInChI=1S/C13H24N4O/c1-5-11-12(6-2)16-17-13(15-11)14-10(8-18)7-9(3)4/h9-10,18H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyBJBUOBQGOSFPTM-UHFFFAOYSA-N
XLogP1.82
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol (CID 105362502) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol is CCc1nnc(NC(CO)CC(C)C)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
The InChIKey is BJBUOBQGOSFPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-12(6-2)16-17-13(15-11)14-10(8-18)7-9(3)4/h9-10,18H,5-8H2,1-4H3,(H,14,15,17).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 105362502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).