1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide

C13H19N7O — CID 72717262

IUPAC1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NC(C)C)C3)ncnc21
InChIInChI=1S/C13H19N7O/c1-4-20-12-10(17-18-20)11(14-7-15-12)19-5-9(6-19)13(21)16-8(2)3/h7-9H,4-6H2,1-3H3,(H,16,21)
InChIKeyPRTXBKVJOAOVBZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.20
Rot. Bonds4

About 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide

1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide (PubChem CID 72717262) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
PubChem CID72717262
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NC(C)C)C3)ncnc21
InChIInChI=1S/C13H19N7O/c1-4-20-12-10(17-18-20)11(14-7-15-12)19-5-9(6-19)13(21)16-8(2)3/h7-9H,4-6H2,1-3H3,(H,16,21)
InChIKeyPRTXBKVJOAOVBZ-UHFFFAOYSA-N
XLogP0.20
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
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)-N-propan-2-ylazetidine-3-carboxamide?
The IUPAC name of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide (CID 72717262) is 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide?
The canonical SMILES for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide is CCn1nnc2c(N3CC(C(=O)NC(C)C)C3)ncnc21.
What is the InChIKey of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide?
The InChIKey is PRTXBKVJOAOVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-4-20-12-10(17-18-20)11(14-7-15-12)19-5-9(6-19)13(21)16-8(2)3/h7-9H,4-6H2,1-3H3,(H,16,21).
What are the key properties of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide?
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 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)-N-propan-2-ylazetidine-3-carboxamide is sourced from PubChem (CID 72717262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).