3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide

C8H17N5O — CID 130014556

IUPAC3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide
SMILESCCNC(=O)N1N=CN(C)C1N(C)C
InChIInChI=1S/C8H17N5O/c1-5-9-7(14)13-8(11(2)3)12(4)6-10-13/h6,8H,5H2,1-4H3,(H,9,14)
InChIKeyKWRVZJYKMHCQPN-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.25
Rot. Bonds2

About 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide

3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide (PubChem CID 130014556) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide
PubChem CID130014556
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide
SMILESCCNC(=O)N1N=CN(C)C1N(C)C
InChIInChI=1S/C8H17N5O/c1-5-9-7(14)13-8(11(2)3)12(4)6-10-13/h6,8H,5H2,1-4H3,(H,9,14)
InChIKeyKWRVZJYKMHCQPN-UHFFFAOYSA-N
XLogP-0.25
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide (CID 130014556) is 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide is CCNC(=O)N1N=CN(C)C1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide?
The InChIKey is KWRVZJYKMHCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-5-9-7(14)13-8(11(2)3)12(4)6-10-13/h6,8H,5H2,1-4H3,(H,9,14).
What are the key properties of 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide?
3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide has a molecular weight of 199.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide is sourced from PubChem (CID 130014556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).