6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde

C9H10N4O — CID 105444107

IUPAC6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCC(C)c1cnc2c(C=O)nnn2c1
InChIInChI=1S/C9H10N4O/c1-6(2)7-3-10-9-8(5-14)11-12-13(9)4-7/h3-6H,1-2H3
InChIKeyLZMUJVJOJFVVAT-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds2

About 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde

6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 105444107) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID105444107
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCC(C)c1cnc2c(C=O)nnn2c1
InChIInChI=1S/C9H10N4O/c1-6(2)7-3-10-9-8(5-14)11-12-13(9)4-7/h3-6H,1-2H3
InChIKeyLZMUJVJOJFVVAT-UHFFFAOYSA-N
XLogP1.06
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 105444107) is 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde is CC(C)c1cnc2c(C=O)nnn2c1.
What is the InChIKey of 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is LZMUJVJOJFVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(2)7-3-10-9-8(5-14)11-12-13(9)4-7/h3-6H,1-2H3.
What are the key properties of 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde?
6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 190.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 105444107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).