1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea

C16H18N6O — CID 29183380

IUPAC1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea
SMILESCCCn1nnnc1NC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C16H18N6O/c1-2-10-22-15(19-20-21-22)18-16(23)17-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3,(H2,17,18,19,21,23)
InChIKeyLEFCJJIQAURRRK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea

1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea (PubChem CID 29183380) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea
PubChem CID29183380
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea
SMILESCCCn1nnnc1NC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C16H18N6O/c1-2-10-22-15(19-20-21-22)18-16(23)17-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3,(H2,17,18,19,21,23)
InChIKeyLEFCJJIQAURRRK-UHFFFAOYSA-N
XLogP2.56
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea
CID 71791003
N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725629
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
2-naphthalen-1-yl-1-(3-propyltriazol-4-yl)ethanone
CID 105129405
2-chloro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 960258
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
CID 175700641
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080808
1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304
(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960288
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
CID 4176167

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea (CID 29183380) is 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea is CCCn1nnnc1NC(=O)NCc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea?
The InChIKey is LEFCJJIQAURRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-10-22-15(19-20-21-22)18-16(23)17-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3,(H2,17,18,19,21,23).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea?
1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea has a molecular weight of 310.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea is sourced from PubChem (CID 29183380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).