7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H14N6O — CID 66283108

IUPAC7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCNC3CC3)ncn12
InChIInChI=1S/C10H14N6O/c17-10-15-14-9-5-8(13-6-16(9)10)12-4-3-11-7-1-2-7/h5-7,11-12H,1-4H2,(H,15,17)
InChIKeyKMMFWCOOGPLOKP-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds5

About 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283108) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283108
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCNC3CC3)ncn12
InChIInChI=1S/C10H14N6O/c17-10-15-14-9-5-8(13-6-16(9)10)12-4-3-11-7-1-2-7/h5-7,11-12H,1-4H2,(H,15,17)
InChIKeyKMMFWCOOGPLOKP-UHFFFAOYSA-N
XLogP-0.42
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283108) is 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NCCNC3CC3)ncn12.
What is the InChIKey of 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KMMFWCOOGPLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c17-10-15-14-9-5-8(13-6-16(9)10)12-4-3-11-7-1-2-7/h5-7,11-12H,1-4H2,(H,15,17).
What are the key properties of 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 234.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).