N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide

C10H14N6O2 — CID 66281733

IUPACN-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H14N6O2/c1-3-11-9(17)6(2)13-7-4-8-14-15-10(18)16(8)5-12-7/h4-6,13H,3H2,1-2H3,(H,11,17)(H,15,18)
InChIKeyPDVRDPRWGYYUFJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.65
Rot. Bonds4

About N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide

N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide (PubChem CID 66281733) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide
PubChem CID66281733
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H14N6O2/c1-3-11-9(17)6(2)13-7-4-8-14-15-10(18)16(8)5-12-7/h4-6,13H,3H2,1-2H3,(H,11,17)(H,15,18)
InChIKeyPDVRDPRWGYYUFJ-UHFFFAOYSA-N
XLogP-0.65
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide (CID 66281733) is N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide is CCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide?
The InChIKey is PDVRDPRWGYYUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-3-11-9(17)6(2)13-7-4-8-14-15-10(18)16(8)5-12-7/h4-6,13H,3H2,1-2H3,(H,11,17)(H,15,18).
What are the key properties of N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide?
N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide has a molecular weight of 250.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 66281733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).