2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine

C13H21N7 — CID 63338782

IUPAC2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
SMILESCc1cc(N2CCN(C(C)CN)CC2)n2ncnc2n1
InChIInChI=1S/C13H21N7/c1-10-7-12(20-13(17-10)15-9-16-20)19-5-3-18(4-6-19)11(2)8-14/h7,9,11H,3-6,8,14H2,1-2H3
InChIKeyKMLPIDQSWFJZLA-UHFFFAOYSA-N
MW275.36 g/mol
LogP-0.10
Rot. Bonds3

About 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine

2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine (PubChem CID 63338782) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
PubChem CID63338782
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
SMILESCc1cc(N2CCN(C(C)CN)CC2)n2ncnc2n1
InChIInChI=1S/C13H21N7/c1-10-7-12(20-13(17-10)15-9-16-20)19-5-3-18(4-6-19)11(2)8-14/h7,9,11H,3-6,8,14H2,1-2H3
InChIKeyKMLPIDQSWFJZLA-UHFFFAOYSA-N
XLogP-0.10
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperazin-1-yl]propan-1-amine
CID 63339291
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 43517160
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 78870337
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
CID 82692163
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine
CID 63853537
2-methyl-3-(methylamino)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 119872490
5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956587

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine (CID 63338782) is 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine is Cc1cc(N2CCN(C(C)CN)CC2)n2ncnc2n1.
What is the InChIKey of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is KMLPIDQSWFJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-10-7-12(20-13(17-10)15-9-16-20)19-5-3-18(4-6-19)11(2)8-14/h7,9,11H,3-6,8,14H2,1-2H3.
What are the key properties of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine?
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 275.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63338782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).