3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine

C11H18N6 — CID 142638159

IUPAC3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCC(CCC)n1nnc2c(N)ncnc21
InChIInChI=1S/C11H18N6/c1-3-5-8(6-4-2)17-11-9(15-16-17)10(12)13-7-14-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyDFTJMNKEBAHDKE-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.94
Rot. Bonds5

About 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine

3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 142638159) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID142638159
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCC(CCC)n1nnc2c(N)ncnc21
InChIInChI=1S/C11H18N6/c1-3-5-8(6-4-2)17-11-9(15-16-17)10(12)13-7-14-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyDFTJMNKEBAHDKE-UHFFFAOYSA-N
XLogP1.94
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine (CID 142638159) is 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine is CCCC(CCC)n1nnc2c(N)ncnc21.
What is the InChIKey of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DFTJMNKEBAHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-5-8(6-4-2)17-11-9(15-16-17)10(12)13-7-14-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 234.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 142638159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).