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

C11H17N5 — CID 62043691

IUPAC2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1nnc2cc(C)ncn12
InChIInChI=1S/C11H17N5/c1-4-7(2)10(12)11-15-14-9-5-8(3)13-6-16(9)11/h5-7,10H,4,12H2,1-3H3
InChIKeyJMJPKMJGQVSDDK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.48
Rot. Bonds3

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

2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine (PubChem CID 62043691) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
PubChem CID62043691
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1nnc2cc(C)ncn12
InChIInChI=1S/C11H17N5/c1-4-7(2)10(12)11-15-14-9-5-8(3)13-6-16(9)11/h5-7,10H,4,12H2,1-3H3
InChIKeyJMJPKMJGQVSDDK-UHFFFAOYSA-N
XLogP1.48
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine (CID 62043691) is 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine is CCC(C)C(N)c1nnc2cc(C)ncn12.
What is the InChIKey of 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
The InChIKey is JMJPKMJGQVSDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-7(2)10(12)11-15-14-9-5-8(3)13-6-16(9)11/h5-7,10H,4,12H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine?
2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine is sourced from PubChem (CID 62043691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).