1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea

C12H10N6O — CID 4657421

IUPAC1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
SMILESO=C(Nc1nn[nH]n1)Nc1cccc2ccccc12
InChIInChI=1S/C12H10N6O/c19-12(14-11-15-17-18-16-11)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16,17,18,19)
InChIKeyGWPQDNPJAXUOCU-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.00
Rot. Bonds2

About 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea

1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea (PubChem CID 4657421) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
PubChem CID4657421
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
SMILESO=C(Nc1nn[nH]n1)Nc1cccc2ccccc12
InChIInChI=1S/C12H10N6O/c19-12(14-11-15-17-18-16-11)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16,17,18,19)
InChIKeyGWPQDNPJAXUOCU-UHFFFAOYSA-N
XLogP2.00
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea (CID 4657421) is 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea is O=C(Nc1nn[nH]n1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea?
The InChIKey is GWPQDNPJAXUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-12(14-11-15-17-18-16-11)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16,17,18,19).
What are the key properties of 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea?
1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea has a molecular weight of 254.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 4657421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).