1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea

C18H25N5O — CID 166280977

IUPAC1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Nc1cn(C(C)C)nn1
InChIInChI=1S/C18H25N5O/c1-13(2)23-12-17(20-21-23)19-18(24)22(14(3)16-9-10-16)11-15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3,(H,19,24)
InChIKeyVMOAAYIKBFSALB-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.69
Rot. Bonds6

About 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea

1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea (PubChem CID 166280977) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea
PubChem CID166280977
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Nc1cn(C(C)C)nn1
InChIInChI=1S/C18H25N5O/c1-13(2)23-12-17(20-21-23)19-18(24)22(14(3)16-9-10-16)11-15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3,(H,19,24)
InChIKeyVMOAAYIKBFSALB-UHFFFAOYSA-N
XLogP3.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995
1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
CID 97019170
1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea
CID 560931
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
CID 14893622
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The IUPAC name of 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea (CID 166280977) is 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea.
What is the SMILES notation for 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The canonical SMILES for 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea is CC(C1CC1)N(Cc1ccccc1)C(=O)Nc1cn(C(C)C)nn1.
What is the InChIKey of 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The InChIKey is VMOAAYIKBFSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)23-12-17(20-21-23)19-18(24)22(14(3)16-9-10-16)11-15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3,(H,19,24).
What are the key properties of 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea?
1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea is sourced from PubChem (CID 166280977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).