N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C15H26N6O — CID 56891913

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C15H26N6O/c1-2-21-11-19-20-13(21)3-6-17-14(22)12-9-15(10-18-12)4-7-16-8-5-15/h11-12,16,18H,2-10H2,1H3,(H,17,22)
InChIKeyKMWPGUOPMGZZMX-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.31
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56891913) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56891913
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C15H26N6O/c1-2-21-11-19-20-13(21)3-6-17-14(22)12-9-15(10-18-12)4-7-16-8-5-15/h11-12,16,18H,2-10H2,1H3,(H,17,22)
InChIKeyKMWPGUOPMGZZMX-UHFFFAOYSA-N
XLogP-0.31
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56891913) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCn1cnnc1CCNC(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is KMWPGUOPMGZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-2-21-11-19-20-13(21)3-6-17-14(22)12-9-15(10-18-12)4-7-16-8-5-15/h11-12,16,18H,2-10H2,1H3,(H,17,22).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56891913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).