2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide

C11H20N6O2 — CID 103109183

IUPAC2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H20N6O2/c1-4-16(3)11(19)8(2)13-10(18)7-17-6-9(5-12)14-15-17/h6,8H,4-5,7,12H2,1-3H3,(H,13,18)
InChIKeyJIJCGJYYTKWCEX-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.28
Rot. Bonds6

About 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide

2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103109183) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103109183
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H20N6O2/c1-4-16(3)11(19)8(2)13-10(18)7-17-6-9(5-12)14-15-17/h6,8H,4-5,7,12H2,1-3H3,(H,13,18)
InChIKeyJIJCGJYYTKWCEX-UHFFFAOYSA-N
XLogP-1.28
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide (CID 103109183) is 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is JIJCGJYYTKWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-16(3)11(19)8(2)13-10(18)7-17-6-9(5-12)14-15-17/h6,8H,4-5,7,12H2,1-3H3,(H,13,18).
What are the key properties of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide?
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 268.32 g/mol, XLogP of -1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103109183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).