N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide

C15H26N4O — CID 602855

IUPACN-cyclododecyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ncn[nH]1
InChIInChI=1S/C15H26N4O/c20-15(14-16-12-17-19-14)18-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2,(H,18,20)(H,16,17,19)
InChIKeyNYTZECBCRNATPR-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.21
Rot. Bonds2

About N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide

N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 602855) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID602855
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-cyclododecyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ncn[nH]1
InChIInChI=1S/C15H26N4O/c20-15(14-16-12-17-19-14)18-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2,(H,18,20)(H,16,17,19)
InChIKeyNYTZECBCRNATPR-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide (CID 602855) is N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CCCCCCCCCCC1)c1ncn[nH]1.
What is the InChIKey of N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NYTZECBCRNATPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-15(14-16-12-17-19-14)18-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2,(H,18,20)(H,16,17,19).
What are the key properties of N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide?
N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 602855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).