2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide

C13H21N5O2 — CID 66192627

IUPAC2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1cc(CNC2CC2)nn1)NC1CCOCC1
InChIInChI=1S/C13H21N5O2/c19-13(15-11-3-5-20-6-4-11)9-18-8-12(16-17-18)7-14-10-1-2-10/h8,10-11,14H,1-7,9H2,(H,15,19)
InChIKeyAPUMRZWOTIEHOH-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.17
Rot. Bonds6

About 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide

2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 66192627) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID66192627
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1cc(CNC2CC2)nn1)NC1CCOCC1
InChIInChI=1S/C13H21N5O2/c19-13(15-11-3-5-20-6-4-11)9-18-8-12(16-17-18)7-14-10-1-2-10/h8,10-11,14H,1-7,9H2,(H,15,19)
InChIKeyAPUMRZWOTIEHOH-UHFFFAOYSA-N
XLogP-0.17
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[1-[2-(oxan-4-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735124
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66194189
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-(4-aminopyrazol-1-yl)-N-(oxan-4-yl)acetamide
CID 43609571
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63556927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide (CID 66192627) is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide is O=C(Cn1cc(CNC2CC2)nn1)NC1CCOCC1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is APUMRZWOTIEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-13(15-11-3-5-20-6-4-11)9-18-8-12(16-17-18)7-14-10-1-2-10/h8,10-11,14H,1-7,9H2,(H,15,19).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide?
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66192627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).