2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine

C10H15N5 — CID 79817570

IUPAC2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1nnc2ccncn12
InChIInChI=1S/C10H15N5/c1-3-7(2)9(11)10-14-13-8-4-5-12-6-15(8)10/h4-7,9H,3,11H2,1-2H3
InChIKeyFAAJXIVSZVSBDQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine

2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine (PubChem CID 79817570) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
PubChem CID79817570
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1nnc2ccncn12
InChIInChI=1S/C10H15N5/c1-3-7(2)9(11)10-14-13-8-4-5-12-6-15(8)10/h4-7,9H,3,11H2,1-2H3
InChIKeyFAAJXIVSZVSBDQ-UHFFFAOYSA-N
XLogP1.17
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine (CID 79817570) is 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine is CCC(C)C(N)c1nnc2ccncn12.
What is the InChIKey of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
The InChIKey is FAAJXIVSZVSBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-7(2)9(11)10-14-13-8-4-5-12-6-15(8)10/h4-7,9H,3,11H2,1-2H3.
What are the key properties of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine is sourced from PubChem (CID 79817570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).