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

C7H9N5O — CID 139369499

IUPAC(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
SMILESCc1nc2ncnn2c(N)c1CO
InChIInChI=1S/C7H9N5O/c1-4-5(2-13)6(8)12-7(11-4)9-3-10-12/h3,13H,2,8H2,1H3
InChIKeyGZHOJKIAAJMXPW-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.49
Rot. Bonds1

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

(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol (PubChem CID 139369499) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol.

Molecular Properties

Compound Name(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
PubChem CID139369499
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
SMILESCc1nc2ncnn2c(N)c1CO
InChIInChI=1S/C7H9N5O/c1-4-5(2-13)6(8)12-7(11-4)9-3-10-12/h3,13H,2,8H2,1H3
InChIKeyGZHOJKIAAJMXPW-UHFFFAOYSA-N
XLogP-0.49
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
CID 169433103
6-[[5-bromo-6-(3-fluoropropoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376918
6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 155792457
6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69499706
6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190652
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
CID 65293973
7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12671298
6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69362070
5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 11522134
6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 155792460
6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190662
ethyl 2-[7-(azonan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46096736

Frequently Asked Questions

What is the IUPAC name of (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol?
The IUPAC name of (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol (CID 139369499) is (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol.
What is the SMILES notation for (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol?
The canonical SMILES for (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol is Cc1nc2ncnn2c(N)c1CO.
What is the InChIKey of (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol?
The InChIKey is GZHOJKIAAJMXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4-5(2-13)6(8)12-7(11-4)9-3-10-12/h3,13H,2,8H2,1H3.
What are the key properties of (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol?
(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol has a molecular weight of 179.18 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol is sourced from PubChem (CID 139369499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).