3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H17N5 — CID 138684329

IUPAC3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@H]1CCC[C@H](c2nnc3c(N)nccn23)C1
InChIInChI=1S/C12H17N5/c1-8-3-2-4-9(7-8)11-15-16-12-10(13)14-5-6-17(11)12/h5-6,8-9H,2-4,7H2,1H3,(H2,13,14)/t8-,9-/m0/s1
InChIKeyPBBPLSRXMRAPGM-IUCAKERBSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds1

About 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138684329) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138684329
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@H]1CCC[C@H](c2nnc3c(N)nccn23)C1
InChIInChI=1S/C12H17N5/c1-8-3-2-4-9(7-8)11-15-16-12-10(13)14-5-6-17(11)12/h5-6,8-9H,2-4,7H2,1H3,(H2,13,14)/t8-,9-/m0/s1
InChIKeyPBBPLSRXMRAPGM-IUCAKERBSA-N
XLogP2.00
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
1-methyl-2-(3-methylcyclohexyl)imidazole
CID 66875294
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139296021
3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295631
1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide
CID 175343149
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 84700451
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
cis-(1R,3S)-3-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 95367642
3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684288
cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 168894014
3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478440
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138684329) is 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C[C@H]1CCC[C@H](c2nnc3c(N)nccn23)C1.
What is the InChIKey of 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is PBBPLSRXMRAPGM-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-3-2-4-9(7-8)11-15-16-12-10(13)14-5-6-17(11)12/h5-6,8-9H,2-4,7H2,1H3,(H2,13,14)/t8-,9-/m0/s1.
What are the key properties of 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 231.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138684329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).