1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea

C8H15N5O — CID 103885543

IUPAC1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCN(C)C(=O)NCc1ncn(C)n1
InChIInChI=1S/C8H15N5O/c1-4-12(2)8(14)9-5-7-10-6-13(3)11-7/h6H,4-5H2,1-3H3,(H,9,14)
InChIKeyWOBFQDKKERTRPM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds3

About 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea

1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 103885543) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID103885543
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCN(C)C(=O)NCc1ncn(C)n1
InChIInChI=1S/C8H15N5O/c1-4-12(2)8(14)9-5-7-10-6-13(3)11-7/h6H,4-5H2,1-3H3,(H,9,14)
InChIKeyWOBFQDKKERTRPM-UHFFFAOYSA-N
XLogP-0.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]but-2-enamide
CID 103886026
2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 82412851
2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884853
1-tert-butyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103882156
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 103883571
3-[methyl-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 80689159
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 103951204
2-cyano-2-ethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 114125429
5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114126513
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
2,2-dimethyl-3-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114124827

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 103885543) is 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea is CCN(C)C(=O)NCc1ncn(C)n1.
What is the InChIKey of 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is WOBFQDKKERTRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-4-12(2)8(14)9-5-7-10-6-13(3)11-7/h6H,4-5H2,1-3H3,(H,9,14).
What are the key properties of 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 197.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 103885543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).