3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine

C10H14N6 — CID 7424081

IUPAC3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine
SMILESCn1nnc2c(N3CCCCC3)ncnc21
InChIInChI=1S/C10H14N6/c1-15-9-8(13-14-15)10(12-7-11-9)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyNREHHZMQORKROE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.75
Rot. Bonds1

About 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine

3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine (PubChem CID 7424081) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine
PubChem CID7424081
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine
SMILESCn1nnc2c(N3CCCCC3)ncnc21
InChIInChI=1S/C10H14N6/c1-15-9-8(13-14-15)10(12-7-11-9)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyNREHHZMQORKROE-UHFFFAOYSA-N
XLogP0.75
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine (CID 7424081) is 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine is Cn1nnc2c(N3CCCCC3)ncnc21.
What is the InChIKey of 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine?
The InChIKey is NREHHZMQORKROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-15-9-8(13-14-15)10(12-7-11-9)16-5-3-2-4-6-16/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine?
3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-piperidin-1-yltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7424081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).