3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol

C11H15N7O — CID 80855550

IUPAC3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
SMILESCNc1nc(NC2CC(O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H15N7O/c1-12-9-15-10(14-7-4-8(19)5-7)17-11(16-9)18-3-2-13-6-18/h2-3,6-8,19H,4-5H2,1H3,(H2,12,14,15,16,17)
InChIKeyQLKVZNQAJBVKBP-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.03
Rot. Bonds4

About 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol

3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol (PubChem CID 80855550) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
PubChem CID80855550
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
SMILESCNc1nc(NC2CC(O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H15N7O/c1-12-9-15-10(14-7-4-8(19)5-7)17-11(16-9)18-3-2-13-6-18/h2-3,6-8,19H,4-5H2,1H3,(H2,12,14,15,16,17)
InChIKeyQLKVZNQAJBVKBP-UHFFFAOYSA-N
XLogP0.03
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

2-N-(3,3-dimethylcyclopentyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114542122
2-N-(1,1-dioxothiolan-3-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772132
4-hydrazinyl-6-imidazol-1-yl-N-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
4-hydrazinyl-6-imidazol-1-yl-N-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80938412
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630373
1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 115967439

Frequently Asked Questions

What is the IUPAC name of 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol (CID 80855550) is 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol is CNc1nc(NC2CC(O)C2)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol?
The InChIKey is QLKVZNQAJBVKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-12-9-15-10(14-7-4-8(19)5-7)17-11(16-9)18-3-2-13-6-18/h2-3,6-8,19H,4-5H2,1H3,(H2,12,14,15,16,17).
What are the key properties of 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol?
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 80855550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).