1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

C7H10N6 — CID 23562746

IUPAC1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1nnc2ncnc(N)c21
InChIInChI=1S/C7H10N6/c1-4(2)13-5-6(8)9-3-10-7(5)11-12-13/h3-4H,1-2H3,(H2,8,9,10)
InChIKeyTVEJSXGEQNESQR-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.38
Rot. Bonds1

About 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 23562746) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID23562746
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1nnc2ncnc(N)c21
InChIInChI=1S/C7H10N6/c1-4(2)13-5-6(8)9-3-10-7(5)11-12-13/h3-4H,1-2H3,(H2,8,9,10)
InChIKeyTVEJSXGEQNESQR-UHFFFAOYSA-N
XLogP0.38
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (CID 23562746) is 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is CC(C)n1nnc2ncnc(N)c21.
What is the InChIKey of 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is TVEJSXGEQNESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-4(2)13-5-6(8)9-3-10-7(5)11-12-13/h3-4H,1-2H3,(H2,8,9,10).
What are the key properties of 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 178.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 23562746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).