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

C12H19N7 — CID 80506250

IUPAC[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
SMILESCc1cc(N2CCN(C)CC2CN)n2ncnc2n1
InChIInChI=1S/C12H19N7/c1-9-5-11(19-12(16-9)14-8-15-19)18-4-3-17(2)7-10(18)6-13/h5,8,10H,3-4,6-7,13H2,1-2H3
InChIKeyKHBUAHCWWSDKMC-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.49
Rot. Bonds2

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

[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine (PubChem CID 80506250) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
PubChem CID80506250
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
SMILESCc1cc(N2CCN(C)CC2CN)n2ncnc2n1
InChIInChI=1S/C12H19N7/c1-9-5-11(19-12(16-9)14-8-15-19)18-4-3-17(2)7-10(18)6-13/h5,8,10H,3-4,6-7,13H2,1-2H3
InChIKeyKHBUAHCWWSDKMC-UHFFFAOYSA-N
XLogP-0.49
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
CID 115963984
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962
1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol
CID 133498173
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
7-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95341158
N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide
CID 167954125
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961
3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 43517160
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)pyrrolidine-2-carboxamide
CID 42917859

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine (CID 80506250) is [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine is Cc1cc(N2CCN(C)CC2CN)n2ncnc2n1.
What is the InChIKey of [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine?
The InChIKey is KHBUAHCWWSDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-9-5-11(19-12(16-9)14-8-15-19)18-4-3-17(2)7-10(18)6-13/h5,8,10H,3-4,6-7,13H2,1-2H3.
What are the key properties of [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine has a molecular weight of 261.33 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).