1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea

C13H13N5O2 — CID 893567

IUPAC1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea
SMILESCn1nnc2cc(NC(=O)NCc3ccco3)ccc21
InChIInChI=1S/C13H13N5O2/c1-18-12-5-4-9(7-11(12)16-17-18)15-13(19)14-8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H2,14,15,19)
InChIKeyKCZRQAWLAXLQLE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.88
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea

1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea (PubChem CID 893567) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea
PubChem CID893567
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea
SMILESCn1nnc2cc(NC(=O)NCc3ccco3)ccc21
InChIInChI=1S/C13H13N5O2/c1-18-12-5-4-9(7-11(12)16-17-18)15-13(19)14-8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H2,14,15,19)
InChIKeyKCZRQAWLAXLQLE-UHFFFAOYSA-N
XLogP1.88
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(1-methylbenzotriazol-5-yl)urea
CID 126153811
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 35336042
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
1-[2-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-6-yl]-3-(furan-2-ylmethyl)urea
CID 126142980
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea (CID 893567) is 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea is Cn1nnc2cc(NC(=O)NCc3ccco3)ccc21.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea?
The InChIKey is KCZRQAWLAXLQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-18-12-5-4-9(7-11(12)16-17-18)15-13(19)14-8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H2,14,15,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea?
1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea has a molecular weight of 271.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea is sourced from PubChem (CID 893567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).