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

C8H14N4 — CID 106324400

IUPACcis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCc1nc([C@@H]2CC[C@H](N)C2)n[nH]1
InChIInChI=1S/C8H14N4/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h6-7H,2-4,9H2,1H3,(H,10,11,12)/t6-,7+/m1/s1
InChIKeyFDIDNKSYWNGXHI-RQJHMYQMSA-N
MW166.23 g/mol
LogP0.71
Rot. Bonds1

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

cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 106324400) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID106324400
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Namecis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCc1nc([C@@H]2CC[C@H](N)C2)n[nH]1
InChIInChI=1S/C8H14N4/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h6-7H,2-4,9H2,1H3,(H,10,11,12)/t6-,7+/m1/s1
InChIKeyFDIDNKSYWNGXHI-RQJHMYQMSA-N
XLogP0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-1H-1,2,4-triazol-3-yl)azepane
CID 84657592
3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 63044245
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55146919
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 61279978
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 91777019
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902164
5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole
CID 107180025
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine
CID 175881426
5-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
CID 77043285
(1-hydroxycyclopentyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 111565424
5-(chloromethyl)-3-(3-methylcyclopentyl)-1H-1,2,4-triazole
CID 79600002

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 106324400) is cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine is Cc1nc([C@@H]2CC[C@H](N)C2)n[nH]1.
What is the InChIKey of cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is FDIDNKSYWNGXHI-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h6-7H,2-4,9H2,1H3,(H,10,11,12)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 106324400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).