5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C12H19N5 — CID 66490771

IUPAC5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(NCCC(C)C)nc2n1
InChIInChI=1S/C12H19N5/c1-8(2)5-6-13-11-15-12-14-9(3)7-10(4)17(12)16-11/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyOVYIXVNHBAICCY-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.20
Rot. Bonds4

About 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 66490771) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID66490771
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(NCCC(C)C)nc2n1
InChIInChI=1S/C12H19N5/c1-8(2)5-6-13-11-15-12-14-9(3)7-10(4)17(12)16-11/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyOVYIXVNHBAICCY-UHFFFAOYSA-N
XLogP2.20
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 66490765
7-hydrazinyl-5,6-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 94672114
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide
CID 124896200
5,7-dimethyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43016401
N-(4-hydroxybutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 81042943
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 10041521
5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 854932
6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine;dihydrochloride
CID 146050004
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 66490771) is 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(NCCC(C)C)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is OVYIXVNHBAICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(2)5-6-13-11-15-12-14-9(3)7-10(4)17(12)16-11/h7-8H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 66490771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).