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

C10H17N5O — CID 66193582

IUPAC2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C10H17N5O/c1-2-11-10(16)7-15-6-9(13-14-15)5-12-8-3-4-8/h6,8,12H,2-5,7H2,1H3,(H,11,16)
InChIKeyAVMXXCNZAGNFKM-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.33
Rot. Bonds6

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

2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide (PubChem CID 66193582) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
PubChem CID66193582
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C10H17N5O/c1-2-11-10(16)7-15-6-9(13-14-15)5-12-8-3-4-8/h6,8,12H,2-5,7H2,1H3,(H,11,16)
InChIKeyAVMXXCNZAGNFKM-UHFFFAOYSA-N
XLogP-0.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66192627
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66194189
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 66269796
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
2-[4-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458576
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide (CID 66193582) is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cc(CNC2CC2)nn1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide?
The InChIKey is AVMXXCNZAGNFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-11-10(16)7-15-6-9(13-14-15)5-12-8-3-4-8/h6,8,12H,2-5,7H2,1H3,(H,11,16).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide?
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide has a molecular weight of 223.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 66193582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).