1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea

C18H24N6O — CID 51115307

IUPAC1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)NC1CCCCCC1
InChIInChI=1S/C18H24N6O/c25-18(19-14-7-3-1-2-4-8-14)20-15-9-5-6-13(12-15)17-21-22-23-24(17)16-10-11-16/h5-6,9,12,14,16H,1-4,7-8,10-11H2,(H2,19,20,25)
InChIKeyDFFOABUHLCLBLY-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.52
Rot. Bonds4

About 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea

1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea (PubChem CID 51115307) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
PubChem CID51115307
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)NC1CCCCCC1
InChIInChI=1S/C18H24N6O/c25-18(19-14-7-3-1-2-4-8-14)20-15-9-5-6-13(12-15)17-21-22-23-24(17)16-10-11-16/h5-6,9,12,14,16H,1-4,7-8,10-11H2,(H2,19,20,25)
InChIKeyDFFOABUHLCLBLY-UHFFFAOYSA-N
XLogP3.52
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41182442

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea (CID 51115307) is 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
The InChIKey is DFFOABUHLCLBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(19-14-7-3-1-2-4-8-14)20-15-9-5-6-13(12-15)17-21-22-23-24(17)16-10-11-16/h5-6,9,12,14,16H,1-4,7-8,10-11H2,(H2,19,20,25).
What are the key properties of 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 51115307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).