N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C17H29N9O — CID 72885086

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C17H29N9O/c1-13(2)24(3)10-16-21-22-23-26(16)11-17(27)18-9-15-20-19-12-25(15)14-7-5-4-6-8-14/h12-14H,4-11H2,1-3H3,(H,18,27)
InChIKeyMCCILDLKODAJGF-UHFFFAOYSA-N
MW375.48 g/mol
LogP0.93
Rot. Bonds8

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 72885086) has the molecular formula C17H29N9O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID72885086
Molecular FormulaC17H29N9O
Molecular Weight375.48 g/mol
Exact Mass375.25
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C17H29N9O/c1-13(2)24(3)10-16-21-22-23-26(16)11-17(27)18-9-15-20-19-12-25(15)14-7-5-4-6-8-14/h12-14H,4-11H2,1-3H3,(H,18,27)
InChIKeyMCCILDLKODAJGF-UHFFFAOYSA-N
XLogP0.93
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 72885086) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is MCCILDLKODAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N9O/c1-13(2)24(3)10-16-21-22-23-26(16)11-17(27)18-9-15-20-19-12-25(15)14-7-5-4-6-8-14/h12-14H,4-11H2,1-3H3,(H,18,27).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 72885086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).