1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol

C10H17N3O3 — CID 171872435

IUPAC1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
SMILESCc1nc(N)c(N)cc1C(O)C(O)CCO
InChIInChI=1S/C10H17N3O3/c1-5-6(4-7(11)10(12)13-5)9(16)8(15)2-3-14/h4,8-9,14-16H,2-3,11H2,1H3,(H2,12,13)
InChIKeyOXLJGZFGWOPUEJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.67
Rot. Bonds4

About 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol

1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol (PubChem CID 171872435) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
PubChem CID171872435
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
SMILESCc1nc(N)c(N)cc1C(O)C(O)CCO
InChIInChI=1S/C10H17N3O3/c1-5-6(4-7(11)10(12)13-5)9(16)8(15)2-3-14/h4,8-9,14-16H,2-3,11H2,1H3,(H2,12,13)
InChIKeyOXLJGZFGWOPUEJ-UHFFFAOYSA-N
XLogP-0.67
TPSA125.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
1-(6-amino-2,4-dimethyl-3-pyridinyl)butane-1,2,4-triol
CID 171872275
1-(4-amino-2-chloro-5-methylphenyl)butane-1,2,4-triol
CID 171872317
5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
1-(2-amino-5-propan-2-ylphenyl)butane-1,2,4-triol
CID 171872717
1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
CID 171872037
1-(2-methyl-5-nitro-3-pyridinyl)butane-1,2,4-triol
CID 171872681
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
CID 171873399
1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
CID 170817665
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol (CID 171872435) is 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol is Cc1nc(N)c(N)cc1C(O)C(O)CCO.
What is the InChIKey of 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol?
The InChIKey is OXLJGZFGWOPUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-6(4-7(11)10(12)13-5)9(16)8(15)2-3-14/h4,8-9,14-16H,2-3,11H2,1H3,(H2,12,13).
What are the key properties of 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol?
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol has a molecular weight of 227.26 g/mol, XLogP of -0.67, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171872435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).