6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol

C13H21N5O5 — CID 3512269

IUPAC6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
SMILESCc1cc(N(C)CC(O)C(O)C(O)C(O)CO)n2ncnc2n1
InChIInChI=1S/C13H21N5O5/c1-7-3-10(18-13(16-7)14-6-15-18)17(2)4-8(20)11(22)12(23)9(21)5-19/h3,6,8-9,11-12,19-23H,4-5H2,1-2H3
InChIKeyKCMFHMJZADBZKN-UHFFFAOYSA-N
MW327.34 g/mol
LogP-2.70
Rot. Bonds7

About 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol

6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol (PubChem CID 3512269) has the molecular formula C13H21N5O5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
PubChem CID3512269
Molecular FormulaC13H21N5O5
Molecular Weight327.34 g/mol
Exact Mass327.15
IUPAC Name6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
SMILESCc1cc(N(C)CC(O)C(O)C(O)C(O)CO)n2ncnc2n1
InChIInChI=1S/C13H21N5O5/c1-7-3-10(18-13(16-7)14-6-15-18)17(2)4-8(20)11(22)12(23)9(21)5-19/h3,6,8-9,11-12,19-23H,4-5H2,1-2H3
InChIKeyKCMFHMJZADBZKN-UHFFFAOYSA-N
XLogP-2.70
TPSA147.47 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
CID 55090908
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62588189
N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
CID 133303949
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol (CID 3512269) is 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol is Cc1cc(N(C)CC(O)C(O)C(O)C(O)CO)n2ncnc2n1.
What is the InChIKey of 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol?
The InChIKey is KCMFHMJZADBZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O5/c1-7-3-10(18-13(16-7)14-6-15-18)17(2)4-8(20)11(22)12(23)9(21)5-19/h3,6,8-9,11-12,19-23H,4-5H2,1-2H3.
What are the key properties of 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol?
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol has a molecular weight of 327.34 g/mol, XLogP of -2.70, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 3512269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).