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

C12H15N5O — CID 62663961

IUPAC1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
SMILESCc1cc(N2CCCCC2C=O)n2ncnc2n1
InChIInChI=1S/C12H15N5O/c1-9-6-11(17-12(15-9)13-8-14-17)16-5-3-2-4-10(16)7-18/h6-8,10H,2-5H2,1H3
InChIKeyQQTUCTJGNZRLSZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.99
Rot. Bonds2

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

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde (PubChem CID 62663961) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
PubChem CID62663961
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
SMILESCc1cc(N2CCCCC2C=O)n2ncnc2n1
InChIInChI=1S/C12H15N5O/c1-9-6-11(17-12(15-9)13-8-14-17)16-5-3-2-4-10(16)7-18/h6-8,10H,2-5H2,1H3
InChIKeyQQTUCTJGNZRLSZ-UHFFFAOYSA-N
XLogP0.99
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
7-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95341158
(2S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
CID 120964867
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 42917859
7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95336447
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962
7-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103198220
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol
CID 133498173
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
CID 80506250

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde (CID 62663961) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde is Cc1cc(N2CCCCC2C=O)n2ncnc2n1.
What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde?
The InChIKey is QQTUCTJGNZRLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-6-11(17-12(15-9)13-8-14-17)16-5-3-2-4-10(16)7-18/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde?
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde has a molecular weight of 245.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62663961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).