1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea

C17H23N5O2 — CID 71857838

IUPAC1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
SMILESCc1cc(NC(=O)NCc2nncn2C2CC2)ccc1OC(C)C
InChIInChI=1S/C17H23N5O2/c1-11(2)24-15-7-4-13(8-12(15)3)20-17(23)18-9-16-21-19-10-22(16)14-5-6-14/h4,7-8,10-11,14H,5-6,9H2,1-3H3,(H2,18,20,23)
InChIKeyCWFUEFLVWRVPMU-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.03
Rot. Bonds6

About 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea

1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea (PubChem CID 71857838) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
PubChem CID71857838
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
SMILESCc1cc(NC(=O)NCc2nncn2C2CC2)ccc1OC(C)C
InChIInChI=1S/C17H23N5O2/c1-11(2)24-15-7-4-13(8-12(15)3)20-17(23)18-9-16-21-19-10-22(16)14-5-6-14/h4,7-8,10-11,14H,5-6,9H2,1-3H3,(H2,18,20,23)
InChIKeyCWFUEFLVWRVPMU-UHFFFAOYSA-N
XLogP3.03
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea with MolForge

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Related Compounds

1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-ethoxy-3-methylphenyl)urea
CID 84586449
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea
CID 71857916
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-(1,3-benzothiazol-6-yl)-3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]urea
CID 72855930
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122085552
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 122150088
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea (CID 71857838) is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea is Cc1cc(NC(=O)NCc2nncn2C2CC2)ccc1OC(C)C.
What is the InChIKey of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The InChIKey is CWFUEFLVWRVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)24-15-7-4-13(8-12(15)3)20-17(23)18-9-16-21-19-10-22(16)14-5-6-14/h4,7-8,10-11,14H,5-6,9H2,1-3H3,(H2,18,20,23).
What are the key properties of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea has a molecular weight of 329.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 71857838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).