3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine

C15H16N6 — CID 3228646

IUPAC3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Cn2nnc3c(NCC4CC4)ncnc32)cc1
InChIInChI=1S/C15H16N6/c1-2-4-12(5-3-1)9-21-15-13(19-20-21)14(17-10-18-15)16-8-11-6-7-11/h1-5,10-11H,6-9H2,(H,16,17,18)
InChIKeySPVCUKMRWSWOBD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.09
Rot. Bonds5

About 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine

3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 3228646) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID3228646
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Cn2nnc3c(NCC4CC4)ncnc32)cc1
InChIInChI=1S/C15H16N6/c1-2-4-12(5-3-1)9-21-15-13(19-20-21)14(17-10-18-15)16-8-11-6-7-11/h1-5,10-11H,6-9H2,(H,16,17,18)
InChIKeySPVCUKMRWSWOBD-UHFFFAOYSA-N
XLogP2.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 3228646) is 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine is c1ccc(Cn2nnc3c(NCC4CC4)ncnc32)cc1.
What is the InChIKey of 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SPVCUKMRWSWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-4-12(5-3-1)9-21-15-13(19-20-21)14(17-10-18-15)16-8-11-6-7-11/h1-5,10-11H,6-9H2,(H,16,17,18).
What are the key properties of 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 280.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(cyclopropylmethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 3228646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).