1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine

C11H17N5 — CID 79817588

IUPAC1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine
SMILESCc1cc2nnc(CC(C)(C)N)n2c(C)n1
InChIInChI=1S/C11H17N5/c1-7-5-9-14-15-10(6-11(3,4)12)16(9)8(2)13-7/h5H,6,12H2,1-4H3
InChIKeyUHCNHLCIMVSNGT-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.02
Rot. Bonds2

About 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine

1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine (PubChem CID 79817588) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine
PubChem CID79817588
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine
SMILESCc1cc2nnc(CC(C)(C)N)n2c(C)n1
InChIInChI=1S/C11H17N5/c1-7-5-9-14-15-10(6-11(3,4)12)16(9)8(2)13-7/h5H,6,12H2,1-4H3
InChIKeyUHCNHLCIMVSNGT-UHFFFAOYSA-N
XLogP1.02
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine (CID 79817588) is 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine is Cc1cc2nnc(CC(C)(C)N)n2c(C)n1.
What is the InChIKey of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine?
The InChIKey is UHCNHLCIMVSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-5-9-14-15-10(6-11(3,4)12)16(9)8(2)13-7/h5H,6,12H2,1-4H3.
What are the key properties of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine?
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 79817588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).