N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide

C12H21N5O — CID 122556202

IUPACN-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCCN(CC)CC1(NC(=O)c2n[nH]nc2C)CC1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)8-12(6-7-12)13-11(18)10-9(3)14-16-15-10/h4-8H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyJTCGLSJXTJTPRO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.72
Rot. Bonds6

About N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide

N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 122556202) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID122556202
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCCN(CC)CC1(NC(=O)c2n[nH]nc2C)CC1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)8-12(6-7-12)13-11(18)10-9(3)14-16-15-10/h4-8H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyJTCGLSJXTJTPRO-UHFFFAOYSA-N
XLogP0.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide (CID 122556202) is N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide is CCN(CC)CC1(NC(=O)c2n[nH]nc2C)CC1.
What is the InChIKey of N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is JTCGLSJXTJTPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(5-2)8-12(6-7-12)13-11(18)10-9(3)14-16-15-10/h4-8H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide?
N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 122556202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).