4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane

C16H29N5 — CID 107055925

IUPAC4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CNC2(CCCCC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-3-7-15-10-17-16(8-5-4-6-9-16)13-21(15)12-14-11-20(2)19-18-14/h11,15,17H,3-10,12-13H2,1-2H3
InChIKeyDIRGFSOLQGUEAE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.09
Rot. Bonds4

About 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane

4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane (PubChem CID 107055925) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
PubChem CID107055925
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CNC2(CCCCC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-3-7-15-10-17-16(8-5-4-6-9-16)13-21(15)12-14-11-20(2)19-18-14/h11,15,17H,3-10,12-13H2,1-2H3
InChIKeyDIRGFSOLQGUEAE-UHFFFAOYSA-N
XLogP2.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64876848
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055655
9-[(5-methyl-3-pyridinyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 102879622
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055788
4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64878190

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane (CID 107055925) is 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane is CCCC1CNC2(CCCCC2)CN1Cc1cn(C)nn1.
What is the InChIKey of 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is DIRGFSOLQGUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-7-15-10-17-16(8-5-4-6-9-16)13-21(15)12-14-11-20(2)19-18-14/h11,15,17H,3-10,12-13H2,1-2H3.
What are the key properties of 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane?
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 291.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107055925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).