N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C7H13N5O2 — CID 136831994

IUPACN-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H13N5O2/c1-12(2)4-3-8-6(13)5-9-7(14)11-10-5/h3-4H2,1-2H3,(H,8,13)(H2,9,10,11,14)
InChIKeyLAGJYOWCXHPGSM-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.61
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136831994) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136831994
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC NameN-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H13N5O2/c1-12(2)4-3-8-6(13)5-9-7(14)11-10-5/h3-4H2,1-2H3,(H,8,13)(H2,9,10,11,14)
InChIKeyLAGJYOWCXHPGSM-UHFFFAOYSA-N
XLogP-1.61
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-aza-5-uracilyl)-ethylenediamine
CID 60965764
N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137262828
N-(2,2-difluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137266432
6-[methyl-[2-(methylamino)ethyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 64083020
6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 82505913
N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136452483
N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136596363
2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 136951774
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136951777
N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137030761
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137274277
N-(2,2-dimethylpropyl)-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 140370213

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136831994) is N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CN(C)CCNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is LAGJYOWCXHPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-12(2)4-3-8-6(13)5-9-7(14)11-10-5/h3-4H2,1-2H3,(H,8,13)(H2,9,10,11,14).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136831994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).