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

C10H18N4O — CID 114383258

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4O/c1-5-10(4,6-15)12-9-11-7(2)8(3)13-14-9/h15H,5-6H2,1-4H3,(H,11,12,14)
InChIKeyLFAKIZHOWDSYIX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.06
Rot. Bonds4

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

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol (PubChem CID 114383258) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol
PubChem CID114383258
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4O/c1-5-10(4,6-15)12-9-11-7(2)8(3)13-14-9/h15H,5-6H2,1-4H3,(H,11,12,14)
InChIKeyLFAKIZHOWDSYIX-UHFFFAOYSA-N
XLogP1.06
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918969
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 104924655
[1-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
CID 171763543
2-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
CID 171763590
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 104919087
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-2-ol
CID 104924101
N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 104924238
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 104924279
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
CID 104924286
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-4,4-dimethylpentan-2-ol
CID 104924329
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol
CID 104924397
4-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethylbutan-1-ol
CID 104924566

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol (CID 114383258) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nnc(C)c(C)n1.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol?
The InChIKey is LFAKIZHOWDSYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-5-10(4,6-15)12-9-11-7(2)8(3)13-14-9/h15H,5-6H2,1-4H3,(H,11,12,14).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 114383258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).