3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine

C12H19N5 — CID 62041739

IUPAC3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cc2nnc(CCCNC(C)C)n2cn1
InChIInChI=1S/C12H19N5/c1-9(2)13-6-4-5-11-15-16-12-7-10(3)14-8-17(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyDVGWHPXBDLQWLN-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.36
Rot. Bonds5

About 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine

3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62041739) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62041739
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cc2nnc(CCCNC(C)C)n2cn1
InChIInChI=1S/C12H19N5/c1-9(2)13-6-4-5-11-15-16-12-7-10(3)14-8-17(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyDVGWHPXBDLQWLN-UHFFFAOYSA-N
XLogP1.36
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine (CID 62041739) is 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine is Cc1cc2nnc(CCCNC(C)C)n2cn1.
What is the InChIKey of 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is DVGWHPXBDLQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9(2)13-6-4-5-11-15-16-12-7-10(3)14-8-17(11)12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine?
3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62041739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).