1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol

C9H14N6O — CID 18584564

IUPAC1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
SMILESCCn1nnc2c(NCC(C)O)ncnc21
InChIInChI=1S/C9H14N6O/c1-3-15-9-7(13-14-15)8(11-5-12-9)10-4-6(2)16/h5-6,16H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyYXOPNGJLHFCBAK-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.03
Rot. Bonds4

About 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol

1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol (PubChem CID 18584564) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
PubChem CID18584564
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
SMILESCCn1nnc2c(NCC(C)O)ncnc21
InChIInChI=1S/C9H14N6O/c1-3-15-9-7(13-14-15)8(11-5-12-9)10-4-6(2)16/h5-6,16H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyYXOPNGJLHFCBAK-UHFFFAOYSA-N
XLogP0.03
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol (CID 18584564) is 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol is CCn1nnc2c(NCC(C)O)ncnc21.
What is the InChIKey of 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol?
The InChIKey is YXOPNGJLHFCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-15-9-7(13-14-15)8(11-5-12-9)10-4-6(2)16/h5-6,16H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol?
1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol has a molecular weight of 222.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol is sourced from PubChem (CID 18584564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).