N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H15N5 — CID 3226946

IUPACN-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C10H15N5/c1-4-7(2)13-9-5-8(3)14-10-11-6-12-15(9)10/h5-7,13H,4H2,1-3H3
InChIKeyKOOCDDRADLASCK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds3

About N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3226946) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3226946
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C10H15N5/c1-4-7(2)13-9-5-8(3)14-10-11-6-12-15(9)10/h5-7,13H,4H2,1-3H3
InChIKeyKOOCDDRADLASCK-UHFFFAOYSA-N
XLogP1.64
TPSA55.11 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3226946) is N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(C)Nc1cc(C)nc2ncnn12.
What is the InChIKey of N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KOOCDDRADLASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-7(2)13-9-5-8(3)14-10-11-6-12-15(9)10/h5-7,13H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 205.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3226946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).