1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea

C16H24N10O — CID 98314192

IUPAC1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea
SMILESCCn1nnnc1NC(=O)NC12C[C@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2
InChIInChI=1S/C16H24N10O/c1-3-25-13(20-22-24-25)17-14(27)18-15-5-11-4-12(6-15)8-16(7-11,9-15)26-21-10(2)19-23-26/h11-12H,3-9H2,1-2H3,(H2,17,18,20,24,27)/t11-,12-,15?,16?/m1/s1
InChIKeyRWFLZHPUACKUST-CPWXYTRJSA-N
MW372.44 g/mol
LogP0.86
Rot. Bonds4

About 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea

1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea (PubChem CID 98314192) has the molecular formula C16H24N10O and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea.

Molecular Properties

Compound Name1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea
PubChem CID98314192
Molecular FormulaC16H24N10O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea
SMILESCCn1nnnc1NC(=O)NC12C[C@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2
InChIInChI=1S/C16H24N10O/c1-3-25-13(20-22-24-25)17-14(27)18-15-5-11-4-12(6-15)8-16(7-11,9-15)26-21-10(2)19-23-26/h11-12H,3-9H2,1-2H3,(H2,17,18,20,24,27)/t11-,12-,15?,16?/m1/s1
InChIKeyRWFLZHPUACKUST-CPWXYTRJSA-N
XLogP0.86
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea?
The IUPAC name of 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea (CID 98314192) is 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea.
What is the SMILES notation for 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea?
The canonical SMILES for 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea is CCn1nnnc1NC(=O)NC12C[C@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2.
What is the InChIKey of 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea?
The InChIKey is RWFLZHPUACKUST-CPWXYTRJSA-N. The full InChI is InChI=1S/C16H24N10O/c1-3-25-13(20-22-24-25)17-14(27)18-15-5-11-4-12(6-15)8-16(7-11,9-15)26-21-10(2)19-23-26/h11-12H,3-9H2,1-2H3,(H2,17,18,20,24,27)/t11-,12-,15?,16?/m1/s1.
What are the key properties of 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea?
1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea has a molecular weight of 372.44 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltetrazol-5-yl)-3-[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea is sourced from PubChem (CID 98314192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).