2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide

C13H21N5O2 — CID 115459437

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
SMILESNCc1cn(CC(=O)N(CC2CCOC2)C2CC2)nn1
InChIInChI=1S/C13H21N5O2/c14-5-11-7-17(16-15-11)8-13(19)18(12-1-2-12)6-10-3-4-20-9-10/h7,10,12H,1-6,8-9,14H2
InChIKeyUNIOSDXPJGLOAT-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.24
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 115459437) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
PubChem CID115459437
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
SMILESNCc1cn(CC(=O)N(CC2CCOC2)C2CC2)nn1
InChIInChI=1S/C13H21N5O2/c14-5-11-7-17(16-15-11)8-13(19)18(12-1-2-12)6-10-3-4-20-9-10/h7,10,12H,1-6,8-9,14H2
InChIKeyUNIOSDXPJGLOAT-UHFFFAOYSA-N
XLogP-0.24
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone
CID 107138462
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-N-(oxolan-3-ylmethyl)acetamide
CID 91915386
1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide
CID 107497323
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 51080983
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631909
2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 106221307
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide (CID 115459437) is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide is NCc1cn(CC(=O)N(CC2CCOC2)C2CC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is UNIOSDXPJGLOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-5-11-7-17(16-15-11)8-13(19)18(12-1-2-12)6-10-3-4-20-9-10/h7,10,12H,1-6,8-9,14H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 115459437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).