N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C15H25N5O2 — CID 75383166

IUPACN-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(CCn1cncn1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25N5O2/c1-13(4-7-20-12-16-11-17-20)18-14(21)19-8-9-22-15(10-19)5-2-3-6-15/h11-13H,2-10H2,1H3,(H,18,21)
InChIKeyNSVPQEGEDFAPJO-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.41
Rot. Bonds4

About N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 75383166) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID75383166
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(CCn1cncn1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25N5O2/c1-13(4-7-20-12-16-11-17-20)18-14(21)19-8-9-22-15(10-19)5-2-3-6-15/h11-13H,2-10H2,1H3,(H,18,21)
InChIKeyNSVPQEGEDFAPJO-UHFFFAOYSA-N
XLogP1.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 75383166) is N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is CC(CCn1cncn1)NC(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is NSVPQEGEDFAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13(4-7-20-12-16-11-17-20)18-14(21)19-8-9-22-15(10-19)5-2-3-6-15/h11-13H,2-10H2,1H3,(H,18,21).
What are the key properties of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 75383166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).