(5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine

C8H13N5 — CID 136801028

IUPAC(5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
SMILESCC1=C(CN)C(C)n2ncnc2N1
InChIInChI=1S/C8H13N5/c1-5-7(3-9)6(2)13-8(12-5)10-4-11-13/h4,6H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyUZVUADGDRZPWSO-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.50
Rot. Bonds1

About (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine

(5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine (PubChem CID 136801028) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine.

Molecular Properties

Compound Name(5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
PubChem CID136801028
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name(5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
SMILESCC1=C(CN)C(C)n2ncnc2N1
InChIInChI=1S/C8H13N5/c1-5-7(3-9)6(2)13-8(12-5)10-4-11-13/h4,6H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyUZVUADGDRZPWSO-UHFFFAOYSA-N
XLogP0.50
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135976745
5-Ethyl-6-octyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 136331409
CID 136342270
CID 136342270
5-Methyl-6-octyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 136391530
5-Methyl-6-octyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136407115
5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137181789
5,7-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 169006543
2-Methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
CID 173107871
5,6-Dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 173341710
(4,5-dimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104042648
(4,5,7-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104042650
2-(5-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanamine
CID 136313050

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
The IUPAC name of (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine (CID 136801028) is (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine.
What is the SMILES notation for (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
The canonical SMILES for (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine is CC1=C(CN)C(C)n2ncnc2N1.
What is the InChIKey of (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
The InChIKey is UZVUADGDRZPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-5-7(3-9)6(2)13-8(12-5)10-4-11-13/h4,6H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
(5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine has a molecular weight of 179.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine is sourced from PubChem (CID 136801028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).