[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

C11H20N4 — CID 107186493

IUPAC[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1C1CCCC1(C)C
InChIInChI=1S/C11H20N4/c1-11(2)6-4-5-8(11)10-14-13-9(7-12)15(10)3/h8H,4-7,12H2,1-3H3
InChIKeyCQXWMXVRBHCNNG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.57
Rot. Bonds2

About [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 107186493) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID107186493
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1C1CCCC1(C)C
InChIInChI=1S/C11H20N4/c1-11(2)6-4-5-8(11)10-14-13-9(7-12)15(10)3/h8H,4-7,12H2,1-3H3
InChIKeyCQXWMXVRBHCNNG-UHFFFAOYSA-N
XLogP1.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 107186329
[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
CID 107186492
5-(2,2-dimethylcyclopentyl)-1,2,4-triazole-3,4-diamine
CID 107176865
[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 130826659
3-(bromomethyl)-5-(2,2-dimethylcyclohexyl)-4-propyl-1,2,4-triazole
CID 107186407
(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 63315628
3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107195177
[5-[(3,3-difluorocyclohexyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 114224148
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861760
1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol
CID 65213811
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
2-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 70732012

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 107186493) is [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1C1CCCC1(C)C.
What is the InChIKey of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CQXWMXVRBHCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2)6-4-5-8(11)10-14-13-9(7-12)15(10)3/h8H,4-7,12H2,1-3H3.
What are the key properties of [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 107186493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).