4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol

C16H28N4O — CID 107077584

IUPAC4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCc2nnc3n2CCCC3)CC1
InChIInChI=1S/C16H28N4O/c1-15(2)6-8-16(21,9-7-15)12-17-11-14-19-18-13-5-3-4-10-20(13)14/h17,21H,3-12H2,1-2H3
InChIKeyMHAMBEBSVMKLAX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.04
Rot. Bonds4

About 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 107077584) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID107077584
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCc2nnc3n2CCCC3)CC1
InChIInChI=1S/C16H28N4O/c1-15(2)6-8-16(21,9-7-15)12-17-11-14-19-18-13-5-3-4-10-20(13)14/h17,21H,3-12H2,1-2H3
InChIKeyMHAMBEBSVMKLAX-UHFFFAOYSA-N
XLogP2.04
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
CID 107077197
2-(1-methylpiperidin-4-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077852
1-(1-methylpiperidin-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077372
1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077080
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891
2-methylsulfinyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077805
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclopentanamine
CID 60664034
3-pyrrolidin-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 107077486
2-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-1-amine
CID 107820060
N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
CID 114132824
1-(cyclopropylmethyl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111869152
2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 119117483

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol (CID 107077584) is 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNCc2nnc3n2CCCC3)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is MHAMBEBSVMKLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(2)6-8-16(21,9-7-15)12-17-11-14-19-18-13-5-3-4-10-20(13)14/h17,21H,3-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107077584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).