cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C10H18N4 — CID 106324408

IUPACcis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCCn1c(C)nnc1[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H18N4/c1-3-14-7(2)12-13-10(14)8-4-5-9(11)6-8/h8-9H,3-6,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyVRODVNNFFKGRAE-BDAKNGLRSA-N
MW194.28 g/mol
LogP1.20
Rot. Bonds2

About cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 106324408) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID106324408
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Namecis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCCn1c(C)nnc1[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H18N4/c1-3-14-7(2)12-13-10(14)8-4-5-9(11)6-8/h8-9H,3-6,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyVRODVNNFFKGRAE-BDAKNGLRSA-N
XLogP1.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine
CID 102630983
cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine
CID 106323098
3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91781413
3-[4-ethyl-5-[[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91775051
3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91784287
3-[4-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91780106
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
[2-[[4-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 91767706
cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine
CID 61377042
3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790687
3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777122
3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91791098

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 106324408) is cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is CCn1c(C)nnc1[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is VRODVNNFFKGRAE-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-14-7(2)12-13-10(14)8-4-5-9(11)6-8/h8-9H,3-6,11H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 106324408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).