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

C16H24N6O — CID 75372959

IUPAC1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea
SMILESCCC(c1ccncc1)N(CC)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C16H24N6O/c1-5-14(13-7-9-17-10-8-13)22(6-2)16(23)19-12(3)15-20-18-11-21(15)4/h7-12,14H,5-6H2,1-4H3,(H,19,23)
InChIKeyIFAPJTPZEIELSL-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.45
Rot. Bonds6

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

1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea (PubChem CID 75372959) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea
PubChem CID75372959
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea
SMILESCCC(c1ccncc1)N(CC)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C16H24N6O/c1-5-14(13-7-9-17-10-8-13)22(6-2)16(23)19-12(3)15-20-18-11-21(15)4/h7-12,14H,5-6H2,1-4H3,(H,19,23)
InChIKeyIFAPJTPZEIELSL-UHFFFAOYSA-N
XLogP2.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
2-[2-methylpropyl-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63065984
1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94120017
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 97089227
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94120050
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-ylphenyl)acetamide
CID 155960696
4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide
CID 125130540
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea
CID 96538465

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea?
The IUPAC name of 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea (CID 75372959) is 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea.
What is the SMILES notation for 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea?
The canonical SMILES for 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea is CCC(c1ccncc1)N(CC)C(=O)NC(C)c1nncn1C.
What is the InChIKey of 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea?
The InChIKey is IFAPJTPZEIELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-14(13-7-9-17-10-8-13)22(6-2)16(23)19-12(3)15-20-18-11-21(15)4/h7-12,14H,5-6H2,1-4H3,(H,19,23).
What are the key properties of 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea?
1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea has a molecular weight of 316.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea is sourced from PubChem (CID 75372959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).