2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C11H15N5O2 — CID 62054820

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H15N5O2/c1-15(7-10-3-2-4-18-10)11(17)8-16-6-9(5-12)13-14-16/h2-4,6H,5,7-8,12H2,1H3
InChIKeyJDRHZOIAXMPOTR-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.01
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 62054820) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID62054820
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H15N5O2/c1-15(7-10-3-2-4-18-10)11(17)8-16-6-9(5-12)13-14-16/h2-4,6H,5,7-8,12H2,1H3
InChIKeyJDRHZOIAXMPOTR-UHFFFAOYSA-N
XLogP-0.01
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 2983956
N-(2-furylmethyl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4918403
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
alpha7 Agonists 12q
CID 57340851
alpha7 Agonists 12t
CID 57340877
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 841630
N,N-diethyl-1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 45226998
4-bromo-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
CID 753334
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide
CID 844768
N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279647
N-[(Furan-2-YL)methyl]-3-(3-methyl-1H-pyrazol-1-YL)propanamide
CID 19555813

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 62054820) is 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is JDRHZOIAXMPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15(7-10-3-2-4-18-10)11(17)8-16-6-9(5-12)13-14-16/h2-4,6H,5,7-8,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 249.27 g/mol, XLogP of -0.01, 5 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-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 62054820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).